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2-Thiazolecarbamic acid, ethyl ester

HCID 77241
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
3673-34-5
Standard SMILES
CCOC(=O)Nc1nccs1
InChIKey
UGOCIZBVCIURJA-UHFFFAOYSA-N
Molecular formula
C6H8N2O2S
Average molar mass
172.21 g/mol
Monoisotopic mass
172.03064868

Names & identifiers

Preferred name
2-Thiazolecarbamic acid, ethyl ester
IUPAC
ethyl N-(1,3-thiazol-2-yl)carbamate
English name
N-(Thiazol-2-yl)carbamic acid ethyl ester
Molecular formula
C6H8N2O2S
Molecular weight
0

Names & synonyms

3673-34-52-Thiazolecarbamic acid, ethyl ester3-Thiazolecarbamic acid, ethyl esterEthyl 2-thiazolecarbamateNSC 4477BRN 0145448Carbamic acid, 3-thiazolyl-, ethyl esterDTXSID701901894-27-00-04594 (Beilstein Handbook Reference)RefChem:89442DTXCID301126803-Thiazolecarbamic acid, ethyl ester (8CI)
Show more names
thiazole-2-ylcarbamic acid ethyl ester
Carbamic acid, 3-thiazolyl-, ethyl ester (9CI)Ethyl thiazol-2-ylcarbamateethyl 1,3-thiazol-2-ylcarbamateN-(Thiazol-2-yl)carbamic acid ethyl esterNSC-4477Carbamic acid, N-2-thiazolyl-, ethyl esterethyl N-(1,3-thiazol-2-yl)carbamate2-carbethoxyaminothiazole

Database identifiers

CAS
3673-34-5
PubChem CID
77241
DTXSID
DTXSID70190189
ChEMBL
CHEMBL3230525
UNII
Y53XJN44HY
Nikkaji
J48.792I

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
79.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
11
Formal charge
0
Complexity
143

Related reactions

2 records
New reaction record
HRID 851788 reaction equation
HRID 851788As productuspto-grants-1983_05
HRID 1144889 reaction equation
HRID 1144889As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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