6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H14N4O3S — CID 42271716

IUPAC6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(-c2cn3c(C(=O)Nc4ccccc4[N+](=O)[O-])csc3n2)cc1
InChIInChI=1S/C19H14N4O3S/c1-12-6-8-13(9-7-12)15-10-22-17(11-27-19(22)21-15)18(24)20-14-4-2-3-5-16(14)23(25)26/h2-11H,1H3,(H,20,24)
InChIKeyOOMOJKXDFAMEKI-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.53
Rot. Bonds4

About 6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42271716) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is 6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42271716
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC Name6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(-c2cn3c(C(=O)Nc4ccccc4[N+](=O)[O-])csc3n2)cc1
InChIInChI=1S/C19H14N4O3S/c1-12-6-8-13(9-7-12)15-10-22-17(11-27-19(22)21-15)18(24)20-14-4-2-3-5-16(14)23(25)26/h2-11H,1H3,(H,20,24)
InChIKeyOOMOJKXDFAMEKI-UHFFFAOYSA-N
XLogP4.53
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271748
N-(4-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271771
N-(4-fluorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271703
N-(2-chlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271470
N-(3,5-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271785
N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271784
6-(4-methoxyphenyl)-N-(2-phenylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270687
N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271565
N-(4-acetamidophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271612
N-(3-chloro-2-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270429
N-(2-ethoxyphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271462
N-(2-methoxyphenyl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270820

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42271716) is 6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is Cc1ccc(-c2cn3c(C(=O)Nc4ccccc4[N+](=O)[O-])csc3n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is OOMOJKXDFAMEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-12-6-8-13(9-7-12)15-10-22-17(11-27-19(22)21-15)18(24)20-14-4-2-3-5-16(14)23(25)26/h2-11H,1H3,(H,20,24).
What are the key properties of 6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-N-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42271716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).