N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C21H20ClFN4O3S2 — CID 43071829

IUPACN-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(F)c(Cl)c2)s1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C21H20ClFN4O3S2/c22-18-11-14(3-4-19(18)23)10-16-12-25-21(31-16)26-20(28)15-5-8-27(9-6-15)32(29,30)17-2-1-7-24-13-17/h1-4,7,11-13,15H,5-6,8-10H2,(H,25,26,28)
InChIKeyMKBWFHWWASHTNN-UHFFFAOYSA-N
MW495.00 g/mol
LogP3.96
Rot. Bonds6

About N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 43071829) has the molecular formula C21H20ClFN4O3S2 and a molecular weight of 495.00 g/mol. Its IUPAC name is N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID43071829
Molecular FormulaC21H20ClFN4O3S2
Molecular Weight495.00 g/mol
Exact Mass494.06
IUPAC NameN-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(F)c(Cl)c2)s1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C21H20ClFN4O3S2/c22-18-11-14(3-4-19(18)23)10-16-12-25-21(31-16)26-20(28)15-5-8-27(9-6-15)32(29,30)17-2-1-7-24-13-17/h1-4,7,11-13,15H,5-6,8-10H2,(H,25,26,28)
InChIKeyMKBWFHWWASHTNN-UHFFFAOYSA-N
XLogP3.96
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-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

1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55611297
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide
CID 167947840
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
1-(3-chloro-4-fluorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 46529104
1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 30685210
N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851605
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30895991
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27991642
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119278182
N-[4-(cyanomethyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30894570
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46436053
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 43071829) is N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ncc(Cc2ccc(F)c(Cl)c2)s1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is MKBWFHWWASHTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O3S2/c22-18-11-14(3-4-19(18)23)10-16-12-25-21(31-16)26-20(28)15-5-8-27(9-6-15)32(29,30)17-2-1-7-24-13-17/h1-4,7,11-13,15H,5-6,8-10H2,(H,25,26,28).
What are the key properties of N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 495.00 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43071829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).