3-Methyl-6-(4-nitrophenyl)imidazo[2,1-b]thiazole-2-carboxylic acid

HCID 79019062

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Basic information

CAS: 1131580-33-0
Standard SMILES: Cc1c(C(=O)O)sc2nc(-c3ccc([N+](=O)[O-])cc3)cn12
InChIKey: URVQNGRXQFRHDO-UHFFFAOYSA-N
Molecular formula: C13H9N3O4S
Average molar mass: 303.3 g/mol
Monoisotopic mass: 303.03137695

Names & identifiers

Preferred name: 3-Methyl-6-(4-nitrophenyl)imidazo[2,1-b]thiazole-2-carboxylic acid
IUPAC: 3-methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

Names & synonyms

DTXSID301165420AKOS0175547943-Methyl-6-(4-nitrophenyl)imidazo[2,1-b]thiazole-2-carboxylic acid3-Methyl-6-(4-nitro-phenyl)-imidazo[2,1-b]thiazole-2-carboxylic acid3-Methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid1131580-33-0

Database identifiers

CAS: 1131580-33-0
PubChem CID: 79019062
DTXSID: DTXSID301165420

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 129 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 436

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