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4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid

4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid - CAS 1007386-72-2

Catalog:	BB000317
Product Name:	4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CAS:	1007386-72-2
Synonyms:	4H-pyrrolo[2,3-d]thiazole-5-carboxylic acid; 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid

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Computed Properties

IUPAC Name:	4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
Description:	4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid (CAS# 1007386-72-2) is a useful research chemical.
Molecular Weight:	168.17
Molecular Formula:	C6H4N2O2S
Canonical SMILES:	C1=C(NC2=C1SC=N2)C(=O)O
InChI:	InChI=1S/C6H4N2O2S/c9-6(10)3-1-4-5(8-3)7-2-11-4/h1-2,8H,(H,9,10)
InChI Key:	LUMJVOCXIGRWEH-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	1.32260

Publication Number	Title	Priority Date
WO-2021107125-A1	Compound having lysophosphatidic acid receptor agonistic activity and pharmaceutical use of said compound	20191129
WO-2021062318-A1	Thiazole carboxamide compounds and use thereof for the treatment of mycobacterial infections	20190926
WO-2019196111-A1	Anti-tumor multidrug resistance of heteroaryl amide compound, use in treatment of cancers and protein-drug molecular complex	20180413
WO-2019085978-A1	Heteroaryl amide compounds, preparation method therefor, pharmaceutical compositions thereof, and applications thereof	20171103
EP-3705481-A1	Heteroaryl amide compounds, preparation method therefor, pharmaceutical compositions thereof, and applications thereof	20171103

PMID	Publication Date	Title	Journal
18455394	20080601	The discovery of fused pyrrole carboxylic acids as novel, potent D-amino acid oxidase (DAO) inhibitors	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.99934855
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	167.99934855
Rotatable Bond Count:	1
Topological Polar Surface Area:	94.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4