5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide

C24H29FN4O3S2 — CID 134610316

IUPAC5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2sc(N(C)C3CCCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(F)cc1C
InChIInChI=1S/C24H29FN4O3S2/c1-15-12-22(25)26-14-19(15)28-34(30,31)21-13-17(10-11-20(21)32-4)23-16(2)27-24(33-23)29(3)18-8-6-5-7-9-18/h10-14,18,28H,5-9H2,1-4H3
InChIKeyPOBKENTVKRSDIY-UHFFFAOYSA-N
MW504.65 g/mol
LogP5.54
Rot. Bonds7

About 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide

5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide (PubChem CID 134610316) has the molecular formula C24H29FN4O3S2 and a molecular weight of 504.65 g/mol. Its IUPAC name is 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide
PubChem CID134610316
Molecular FormulaC24H29FN4O3S2
Molecular Weight504.65 g/mol
Exact Mass504.17
IUPAC Name5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2sc(N(C)C3CCCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(F)cc1C
InChIInChI=1S/C24H29FN4O3S2/c1-15-12-22(25)26-14-19(15)28-34(30,31)21-13-17(10-11-20(21)32-4)23-16(2)27-24(33-23)29(3)18-8-6-5-7-9-18/h10-14,18,28H,5-9H2,1-4H3
InChIKeyPOBKENTVKRSDIY-UHFFFAOYSA-N
XLogP5.54
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.65
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-methyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
CID 20647101
4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 46943803
N-[5-[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 122187991
2-amino-N-[5-[5-(benzenesulfonamido)-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 145959980
4-fluoro-N-[2-[[4-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 138607210
N-(3-Imidazo[1,2-a]pyrimidin-2-yl-phenyl)-2-methoxy-5-methyl-benzenesulfonamide
CID 6494237
3-[(2-methoxyphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 70789408
5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-fluoro-3-methylphenyl)-2-methoxybenzenesulfonamide
CID 121452598
5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 121452652
5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-N-(2-fluorophenyl)-2-methoxybenzenesulfonamide
CID 121452659
5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
CID 117894549
5-[2-(tert-butylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
CID 121452601

Frequently Asked Questions

What is the IUPAC name of 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide (CID 134610316) is 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide is COc1ccc(-c2sc(N(C)C3CCCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(F)cc1C.
What is the InChIKey of 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide?
The InChIKey is POBKENTVKRSDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S2/c1-15-12-22(25)26-14-19(15)28-34(30,31)21-13-17(10-11-20(21)32-4)23-16(2)27-24(33-23)29(3)18-8-6-5-7-9-18/h10-14,18,28H,5-9H2,1-4H3.
What are the key properties of 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide?
5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide has a molecular weight of 504.65 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(6-fluoro-4-methyl-3-pyridinyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 134610316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).