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

C21H21FN4O3S2 — CID 46436053

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCc1sc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O3S2/c1-14-19(15-4-6-17(22)7-5-15)24-21(30-14)25-20(27)16-8-11-26(12-9-16)31(28,29)18-3-2-10-23-13-18/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,24,25,27)
InChIKeySCJOVQCNTXHQHN-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.69
Rot. Bonds5

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

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 46436053) has the molecular formula C21H21FN4O3S2 and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID46436053
Molecular FormulaC21H21FN4O3S2
Molecular Weight460.56 g/mol
Exact Mass460.10
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCc1sc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H21FN4O3S2/c1-14-19(15-4-6-17(22)7-5-15)24-21(30-14)25-20(27)16-8-11-26(12-9-16)31(28,29)18-3-2-10-23-13-18/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,24,25,27)
InChIKeySCJOVQCNTXHQHN-UHFFFAOYSA-N
XLogP3.69
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291637
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38868649
N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30885794
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43063466
1-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6498125
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119266983
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26291752
N-(4-methylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46602451
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066570
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 46436053) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is Cc1sc(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is SCJOVQCNTXHQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S2/c1-14-19(15-4-6-17(22)7-5-15)24-21(30-14)25-20(27)16-8-11-26(12-9-16)31(28,29)18-3-2-10-23-13-18/h2-7,10,13,16H,8-9,11-12H2,1H3,(H,24,25,27).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46436053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).