2-Amino-4,5-dimethylthiophene-3-carboxamide - CAS 51486-04-5

Catalog:	BB027458
Product Name:	2-Amino-4,5-dimethylthiophene-3-carboxamide
CAS:	51486-04-5
Synonyms:	2-amino-4,5-dimethylthiophene-3-carboxamide

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Computed Properties

IUPAC Name:	2-amino-4,5-dimethylthiophene-3-carboxamide
Description:	2-Amino-4,5-dimethylthiophene-3-carboxamide (CAS# 51486-04-5) is a useful research chemical.
Molecular Weight:	170.23
Molecular Formula:	C7H10N2OS
Canonical SMILES:	CC1=C(SC(=C1C(=O)N)N)C
InChI:	InChI=1S/C7H10N2OS/c1-3-4(2)11-7(9)5(3)6(8)10/h9H2,1-2H3,(H2,8,10)
InChI Key:	ZKXSEMXZKAQARN-UHFFFAOYSA-N
Boiling Point:	252.1 °C at 760 mmHg
Density:	1.285 g/cm³
MDL:	MFCD00617251
LogP:	2.32750

Publication Number	Title	Priority Date
WO-2011036889-A1	Heterocyclic compound	20090925
AU-2007271469-A1	Pyrazolealkanamide substituted thiophenes as AMPA potentiators	20060704
AU-2007271469-B2	Pyrazolealkanamide substituted thiophenes as AMPA potentiators	20060704
CA-2655680-A1	Pyrazolealkanamide substituted thiophenes as ampa potentiators	20060704
EP-2041124-A1	Pyrazolealkanamide substituted thiophenes as ampa potentiators	20060704

PMID	Publication Date	Title	Journal
20547794	20100901	Structure-activity analysis of vinylogous urea inhibitors of human immunodeficiency virus-encoded ribonuclease H	Antimicrobial agents and chemotherapy

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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:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.05138412
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	170.05138412
Rotatable Bond Count:	1
Topological Polar Surface Area:	97.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4