[2-(Benzoylamino)-1,3-thiazol-4-yl]acetic acid
Basic information
- CAS
329698-00-2- Standard SMILES
O=C(O)Cc1csc(NC(=O)c2ccccc2)n1- InChIKey
YUASLJXAXQANLW-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3S
- Average molar mass
- 262.29 g/mol
- Monoisotopic mass
- 262.04121336
Names & identifiers
- Preferred name
- [2-(Benzoylamino)-1,3-thiazol-4-yl]acetic acid
- IUPAC
- 2-(2-benzamido-1,3-thiazol-4-yl)acetic acid
- English name
- [2-(Benzoylamino)-1,3-thiazol-4-yl]acetic acid
- Molecular formula
- C12H10N2O3S
- Molecular weight
- 262.28
Names & synonyms
329698-00-2[2-(benzoylamino)-1,3-thiazol-4-yl]acetic acid2-(2-benzamido-1,3-thiazol-4-yl)acetic AcidMFCD00832130Oprea1_776883CHEMBL4759434SCHEMBL27599948AKOS0001229832-(Benzoylamino)-4-thiazoleacetic acid2-(2-benzamidothiazol-4-yl)acetic acidDB-2022962-(2-benzamido-1,3-thiazol-4-yl)aceticAcid
Show more names
4-Thiazoleacetic acid, 2-(benzoylamino)-(2-BENZOYLAMINO-THIAZOL-4-YL)-ACETIC ACID
EN300-12386G34471F3479612-[2-(Benzoylamino)-1,3-thiazol-4-yl]acetic acidF2145-0005Z119989786
Database identifiers
- CAS
329698-00-2- PubChem CID
- 677066
- ChEMBL
CHEMBL4759434- EC Number
- 168-236-8
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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