Ethyl 5-Aminothiazole-4-carboxylate - CAS 18903-18-9

Catalog:	BB014580
Product Name:	Ethyl 5-Aminothiazole-4-carboxylate
CAS:	18903-18-9
Synonyms:	5-amino-4-thiazolecarboxylic acid ethyl ester; ethyl 5-amino-1,3-thiazole-4-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 5-amino-1,3-thiazole-4-carboxylate
Description:	Ethyl 5-Aminothiazole-4-carboxylate (CAS# 18903-18-9) is a useful research chemical.
Molecular Weight:	172.20
Molecular Formula:	C6H8N2O2S
Canonical SMILES:	CCOC(=O)C1=C(SC=N1)N
InChI:	InChI=1S/C6H8N2O2S/c1-2-10-6(9)4-5(7)11-3-8-4/h3H,2,7H2,1H3
InChI Key:	AZDIMLOSMFZQLP-UHFFFAOYSA-N
Boiling Point:	300.666 °C at 760 mmHg
Density:	1.337 g/cm³
MDL:	MFCD09834584
LogP:	1.48320

Publication Number	Title	Priority Date
WO-2020219729-A1	Papd5 inhibitors and methods of use thereof	20190424
AU-2018304907-A1	Chemical compounds	20170721
CA-3070036-A1	Chemical compounds	20170721
EP-3431474-A1	Chemical compounds	20170721
EP-3655405-A1	Chemical compounds	20170721

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.03064868
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.03064868
Rotatable Bond Count:	3
Topological Polar Surface Area:	93.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7