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

C13H10N4O3S — CID 71911952

IUPAC6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1cn2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)sc2n1
InChIInChI=1S/C13H10N4O3S/c1-8-6-16-7-11(21-13(16)14-8)12(18)15-9-2-4-10(5-3-9)17(19)20/h2-7H,1H3,(H,15,18)
InChIKeySJKGCFZHSFFKKZ-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.86
Rot. Bonds3

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

6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 71911952) has the molecular formula C13H10N4O3S and a molecular weight of 302.31 g/mol. Its IUPAC name is 6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID71911952
Molecular FormulaC13H10N4O3S
Molecular Weight302.31 g/mol
Exact Mass302.05
IUPAC Name6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1cn2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)sc2n1
InChIInChI=1S/C13H10N4O3S/c1-8-6-16-7-11(21-13(16)14-8)12(18)15-9-2-4-10(5-3-9)17(19)20/h2-7H,1H3,(H,15,18)
InChIKeySJKGCFZHSFFKKZ-UHFFFAOYSA-N
XLogP2.86
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.86
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'}

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Related Compounds

1,3-dimethyl-N-(4-nitrophenyl)pyrazole-4-carboxamide
CID 19474760
N-[4-(2-carbamoylphenoxy)phenyl]-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 166155502
2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62788018
1-(5-bromo-4-methyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)urea
CID 139201996
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
5-methyl-N-(4-nitrophenyl)-1,1-dioxothiophene-2-carboxamide
CID 129320277
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-nitrophenyl)urea
CID 108885515
1-(4-nitrophenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea
CID 157090092
N-(4-bromophenyl)-4-methyl-2-[(4-nitrobenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468154
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 104640079
6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 62239792

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 71911952) is 6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1cn2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)sc2n1.
What is the InChIKey of 6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is SJKGCFZHSFFKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S/c1-8-6-16-7-11(21-13(16)14-8)12(18)15-9-2-4-10(5-3-9)17(19)20/h2-7H,1H3,(H,15,18).
What are the key properties of 6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 71911952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).