3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide

C21H17N5O3S2 — CID 70789424

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C21H17N5O3S2/c1-14-2-4-16(5-3-14)31(28,29)26-18-12-23-11-8-17(18)20(27)25-21-24-19(13-30-21)15-6-9-22-10-7-15/h2-13,26H,1H3,(H,24,25,27)
InChIKeyCAGACSDGXZUXRA-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.96
Rot. Bonds6

About 3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide

3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 70789424) has the molecular formula C21H17N5O3S2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID70789424
Molecular FormulaC21H17N5O3S2
Molecular Weight451.53 g/mol
Exact Mass451.08
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C21H17N5O3S2/c1-14-2-4-16(5-3-14)31(28,29)26-18-12-23-11-8-17(18)20(27)25-21-24-19(13-30-21)15-6-9-22-10-7-15/h2-13,26H,1H3,(H,24,25,27)
InChIKeyCAGACSDGXZUXRA-UHFFFAOYSA-N
XLogP3.96
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzenesulfonamide
CID 66553052
N-[5-(5-benzenesulphonamido-6-chloropyridin-3-yl)-4-methylthiazol-2-yl]acetamide
CID 11541283
N-(2-aminoethyl)-5-[2-[[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15979868
N-[2-[[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 121445752
2-(2-cyclopropanesulfonamido-1,3-thiazol-4-yl)-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
CID 138674003
2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide
CID 162369728
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]pyridine-3-carboxamide
CID 940243
3-Pyridinecarboxamide, N-[4-(2-pyridinyl)-2-thiazolyl]-
CID 2576416
N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 2660429
4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 2660503

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 70789424) is 3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is CAGACSDGXZUXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3S2/c1-14-2-4-16(5-3-14)31(28,29)26-18-12-23-11-8-17(18)20(27)25-21-24-19(13-30-21)15-6-9-22-10-7-15/h2-13,26H,1H3,(H,24,25,27).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 70789424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).