N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide

C27H32FN5O3S2 — CID 155985260

IUPACN-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide
SMILESO=C(C1CCCCC1)N1CCC(c2cccc(Nc3ncc(CNS(=O)(=O)c4ccc(F)cc4)s3)n2)CC1
InChIInChI=1S/C27H32FN5O3S2/c28-21-9-11-23(12-10-21)38(35,36)30-18-22-17-29-27(37-22)32-25-8-4-7-24(31-25)19-13-15-33(16-14-19)26(34)20-5-2-1-3-6-20/h4,7-12,17,19-20,30H,1-3,5-6,13-16,18H2,(H,29,31,32)
InChIKeyTUKABLBLEWQOPY-UHFFFAOYSA-N
MW557.72 g/mol
LogP5.19
Rot. Bonds8

About N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide

N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide (PubChem CID 155985260) has the molecular formula C27H32FN5O3S2 and a molecular weight of 557.72 g/mol. Its IUPAC name is N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide
PubChem CID155985260
Molecular FormulaC27H32FN5O3S2
Molecular Weight557.72 g/mol
Exact Mass557.19
IUPAC NameN-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide
SMILESO=C(C1CCCCC1)N1CCC(c2cccc(Nc3ncc(CNS(=O)(=O)c4ccc(F)cc4)s3)n2)CC1
InChIInChI=1S/C27H32FN5O3S2/c28-21-9-11-23(12-10-21)38(35,36)30-18-22-17-29-27(37-22)32-25-8-4-7-24(31-25)19-13-15-33(16-14-19)26(34)20-5-2-1-3-6-20/h4,7-12,17,19-20,30H,1-3,5-6,13-16,18H2,(H,29,31,32)
InChIKeyTUKABLBLEWQOPY-UHFFFAOYSA-N
XLogP5.19
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.72
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

cyclopentyl-[4-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 127244684
[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-piperidin-2-ylmethanone
CID 132765738
(3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 132766420
cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
CID 155985119
morpholin-3-yl-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 132778578
cyclopentyl-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 155984921
cyclohexyl-[2-[6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 155985226
5-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 132765731
N-cyclohexyl-N-methyl-2-[[6-[1-[(2S)-piperidine-2-carbonyl]piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carboxamide
CID 175658988
4-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 132778849
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 155985108
tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate
CID 155985712

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide (CID 155985260) is N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide is O=C(C1CCCCC1)N1CCC(c2cccc(Nc3ncc(CNS(=O)(=O)c4ccc(F)cc4)s3)n2)CC1.
What is the InChIKey of N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide?
The InChIKey is TUKABLBLEWQOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O3S2/c28-21-9-11-23(12-10-21)38(35,36)30-18-22-17-29-27(37-22)32-25-8-4-7-24(31-25)19-13-15-33(16-14-19)26(34)20-5-2-1-3-6-20/h4,7-12,17,19-20,30H,1-3,5-6,13-16,18H2,(H,29,31,32).
What are the key properties of N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide?
N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide has a molecular weight of 557.72 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[6-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-pyridinyl]amino]-1,3-thiazol-5-yl]methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 155985260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).