5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester

HCID 298610

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 20582-55-2
Standard SMILES: CCOC(=O)c1scnc1C
InChIKey: WISQBJLUORKXNY-UHFFFAOYSA-N
Molecular formula: C7H9NO2S
Average molar mass: 171.22 g/mol
Monoisotopic mass: 171.03539953

Names & identifiers

Preferred name: 5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester
IUPAC: ethyl 4-methyl-1,3-thiazole-5-carboxylate
English name: Ethyl 4-methyl-5-thiazoleactate
Molecular formula: C7H9NO2S
Molecular weight: 171.22

Names & synonyms

20582-55-25-Thiazolecarboxylic acid, 4-methyl-, ethyl esterRefChem:1073356Ethyl 4-methylthiazole-5-carboxylateEthyl 4-methyl-1,3-thiazole-5-carboxylateMFCD006268734-Methylthiazole-5-carboxylic acid ethyl esterEthyl4-methyl-5-thiazoleactateNSC1708244-methyl-5-thiazolecarboxylic acid ethylesterSCHEMBL31575SCHEMBL971952

Show more names

ETHYL 4-METHYL-5-THIAZOLEACTATEEthyl-4-methyl-5-thiazoly formateETHYL 4-METHYL-5-THIAZOLYL FORMATEEthyl4-Methylthiazole-5-CarboxylatEthyl 4-metylthiazole-5-carboxylateEthyl-4-methyl-5-thizaolecarboxylateETHYL 4-METHYL-5-THIAZOLECARBOXYLATE4-methyl-5-(ethoxycarbonyl)-thiazole5-(Ethoxycarbonyl)-4-methyl-1,3-thiazole

DTXSID00942774HMS1703D02ethyl4-methylthiazole-5-carboxylate4-methyl-5-(ethoxycarbonyl)thiazoleSBB067075thiazole, 5-ethoxycarbonyl-4-methyl-AKOS0006728244-Methylthiazol-5-carbonsaureathylester

Database identifiers

CAS: 20582-55-2
PubChem CID: 298610
DTXSID: DTXSID00942774
EC Number: 606-584-9
Nikkaji: J1.905.411J

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 28 °C · 28°C(lit.)
Boiling point: 233 °C · 233°C(lit.)
Density: 1.198 · 1.198±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to lump
pka: 1.57 · 1.57±0.10(Predicted)
color: White to Almost white
LogP: 1.41 · 1.410 (est)
CAS DataBase Reference: 20582 · 20582-55-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HazardClass: IRRITANT
HS Code: 2934208090 · 2934208090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2934208090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications · 1 item

UsesEthyl 4-methylthiazolium-5-carboxylate is a key intermediate in the synthesis of cefditorenpivoxil. Cefditorenpivoxil was developed by Meiji Seika Co., Ltd. of Japan and launched in Japan in 1994 under the trade name Meiact. Cefditorenpivoxil has a broad antibacterial spectrum against both Gram-positive and Gram-negative bacteria.