Ethyl 2-formamidothiazol-4-acetate

HCID 688091

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 64987-05-9
Standard SMILES: CCOC(=O)Cc1csc(NC=O)n1
InChIKey: UAGSMUJDTUOTFP-UHFFFAOYSA-N
Molecular formula: C8H10N2O3S
Average molar mass: 214.24 g/mol
Monoisotopic mass: 214.04121318

Names & identifiers

Preferred name: Ethyl 2-formamidothiazol-4-acetate
IUPAC: ethyl 2-(2-formamido-1,3-thiazol-4-yl)acetate
English name: Ethyl 2-formamidothiazol-4-acetate
Molecular formula: C8H10N2O3S
Molecular weight: 214.24

Names & synonyms

64987-05-9Ethyl 2-formamidothiazol-4-acetateEINECS 265-300-84-Thiazoleacetic acid, 2-(formylamino)-, ethyl esterDTXSID70215306Ethyl 2-(formylamino)-4-thiazoleacetateRefChem:594386DTXCID30137797265-300-8Ethyl 2-(2-formamidothiazol-4-yl)acetateEthyl 2-(2-formylaminothiazol-4-yl) acetateethyl 2-(2-formamido-1,3-thiazol-4-yl)acetate

Show more names

EFTAEFATAethyl2-(formylamino)-4-thiazoleacetateEthyl (2-formamido-1,3-thiazol-4-yl)acetateEFTA:ETHYL 2-(2-FORMYLAMINOTHIAZOL-4-YL) ACETATE2-(Formylamino)thiazole-4-acetic acid ethyl ester

MFCD00010411Ethyl 2-(2-formylaminothiazol-4-yl)acetateSCHEMBL676083SCHEMBL676084SCHEMBL11009103SCHEMBL11011462SCHEMBL11353985(2-FORMYLAMINO-THIAZOL-4-YL)-ACETIC ACID ETHYL ESTER

Database identifiers

CAS: 64987-05-9
PubChem CID: 688091
DTXSID: DTXSID70215306
EC Number: 265-300-8
Nikkaji: J286.621H

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 96.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 213

Physicochemical properties

Melting point: 130 · 130-132 °C(lit.)
Boiling point: 341.4 · 341.4±34.0 °C(Predicted)
Density: 1.354 · 1.354±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 8.53 · 8.53±0.70(Predicted)
CAS DataBase Reference: 64987 · 64987-05-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3

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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.