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N-(5-bromo-4-methyl-1,3-thiazol-2-yl)acetamide

HCID 822437
NotesReactions

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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
21478-95-5
Standard SMILES
CC(=O)Nc1nc(C)c(Br)s1
InChIKey
VGOJXJXWXAIOBE-UHFFFAOYSA-N
Molecular formula
C6H7BrN2OS
Average molar mass
235.1 g/mol
Monoisotopic mass
233.94624594

Names & identifiers

Preferred name
N-(5-bromo-4-methyl-1,3-thiazol-2-yl)acetamide
IUPAC
N-(5-bromo-4-methyl-1,3-thiazol-2-yl)acetamide
English name
N-(5-bromo-4-methyl-1,3-thiazol-2-yl)acetamide
Molecular formula
C6H7BrN2OS
Molecular weight
235.1

Names & synonyms

21478-95-5N-(5-bromo-4-methyl-1,3-thiazol-2-yl)acetamideN-(5-Bromo-4-methylthiazol-2-yl)acetamideMFCD01924770N-(5-Bromo-4-methyl-thiazol-2-yl)-acetamideAcetamide, N-(5-bromo-4-methyl-2-thiazolyl)-N-(5-Bromo-4-methyl-2-thiazolyl)acetamideSCHEMBL48387CHEMBL3770077DTXSID60356373VGOJXJXWXAIOBE-UHFFFAOYSA-NALBB-017788
Show more names
N-(5-bromo-4-methyl-1,3-thiazol-2-yl)ethanamide
AKOS015959963LS-05889SY086875DB-371144CS-0179826n-(5-bromo-4-methyl-thiazol-2-yl)acetamiden-(5-bromo-4-methylthiazol-2-yl) acetamideF82932

Database identifiers

CAS
21478-95-5
PubChem CID
822437
DTXSID
DTXSID60356373
ChEMBL
CHEMBL3770077

Properties

Computed structural propertiesFilling in

XLogP
1.9
Topological polar surface area
70.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
167

Physicochemical properties

storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance
Light yellow to light brown Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
HS Code
2934100090 · 2934100090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2934100090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2-Acetamido-4-methylthiazole5-Bromo-4-methyl-thiazol-2-amine

Suppliers9 total

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海篆乾生物科技有限公司15721176654;15710104046 · [email protected]
河南伊诺凯新材料有限公司18836288690 18836288690 · [email protected]
南京元科新锐医药科技有限公司18851867769 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]

Related reactions

7 records
New reaction record
HRID 830795 reaction equation
HRID 830795As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1092941 reaction equation
HRID 1092941As productuspto-grants-2012_03
HRID 2130411 reaction equation
HRID 2130411As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2247322 reaction equation
HRID 2247322As productuspto-grants-2010_03
HRID 2386174 reaction equation
HRID 2386174As productuspto-grants-2012_09
HRID 2386175 reaction equation
HRID 2386175As reactantuspto-grants-2012_09
HRID 2386178 reaction equation
HRID 2386178As reactantuspto-grants-2012_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes