Ethyl 2-amino-4-phenylthiazole-5-carboxylate - CAS 64399-23-1

Catalog:	BB032458
Product Name:	Ethyl 2-amino-4-phenylthiazole-5-carboxylate
CAS:	64399-23-1
Synonyms:	ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate

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Computed Properties

IUPAC Name:	ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate
Description:	Ethyl 2-amino-4-phenylthiazole-5-carboxylate (CAS# 64399-23-1) is a useful research chemical.
Molecular Weight:	248.30
Molecular Formula:	C12H12N2O2S
Canonical SMILES:	CCOC(=O)C1=C(N=C(S1)N)C2=CC=CC=C2
InChI:	InChI=1S/C12H12N2O2S/c1-2-16-11(15)10-9(14-12(13)17-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,13,14)
InChI Key:	OZMXFXOHCUEEPD-UHFFFAOYSA-N
Boiling Point:	449.1 °C at 760 mmHg
Density:	1.279 g/cm³
MDL:	MFCD00022452
LogP:	3.15020

Publication Number	Title	Priority Date
CN-107089955-B	Sulfonamide derivative and preparation method and application thereof	20160218
EP-3232788-B1	Triazoles derivatives having pesticidal utility, and intermediates, compositions, and processes, related thereto	20141215
US-2017360045-A1	Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto	20141215
US-2016297796-A1	Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as trka kinase inhibitors	20121113
US-9828360-B2	Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors	20121113

PMID	Publication Date	Title	Journal
15281618	20040101	Complexes of ruthenium(III) with some 2-aminothiazole derivatives/synthesis, properties and pharmacological studies	Arzneimittel-Forschung

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.06194880
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	248.06194880
Rotatable Bond Count:	4
Topological Polar Surface Area:	93.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8