2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide

C12H11ClN4O3S — CID 103821297

IUPAC2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)c1csc(NC(=O)c2cc([N+](=O)[O-])cnc2Cl)n1
InChIInChI=1S/C12H11ClN4O3S/c1-6(2)9-5-21-12(15-9)16-11(18)8-3-7(17(19)20)4-14-10(8)13/h3-6H,1-2H3,(H,15,16,18)
InChIKeyZSPCDMUQUAKFHW-UHFFFAOYSA-N
MW326.77 g/mol
LogP3.48
Rot. Bonds4

About 2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide

2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 103821297) has the molecular formula C12H11ClN4O3S and a molecular weight of 326.77 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID103821297
Molecular FormulaC12H11ClN4O3S
Molecular Weight326.77 g/mol
Exact Mass326.02
IUPAC Name2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)c1csc(NC(=O)c2cc([N+](=O)[O-])cnc2Cl)n1
InChIInChI=1S/C12H11ClN4O3S/c1-6(2)9-5-21-12(15-9)16-11(18)8-3-7(17(19)20)4-14-10(8)13/h3-6H,1-2H3,(H,15,16,18)
InChIKeyZSPCDMUQUAKFHW-UHFFFAOYSA-N
XLogP3.48
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-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

2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 113264937
2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 103803211
methyl (2S)-2-[(2-chloro-5-nitropyridine-3-carbonyl)amino]propanoate
CID 103803511
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-nitropyridine-3-carboxamide
CID 106388118
5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18129996
2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107025323
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 2679272
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]-5-nitropyridine-3-carboxamide
CID 114046633
2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide
CID 103817011
2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479537
2-chloro-N-(dicyclopropylmethyl)-5-nitropyridine-3-carboxamide
CID 103803498
2-chloro-5-nitro-N-pent-1-yn-3-ylpyridine-3-carboxamide
CID 106228673

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 103821297) is 2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide is CC(C)c1csc(NC(=O)c2cc([N+](=O)[O-])cnc2Cl)n1.
What is the InChIKey of 2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is ZSPCDMUQUAKFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3S/c1-6(2)9-5-21-12(15-9)16-11(18)8-3-7(17(19)20)4-14-10(8)13/h3-6H,1-2H3,(H,15,16,18).
What are the key properties of 2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 326.77 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103821297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).