1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide

C20H20N4O3S2 — CID 55339409

IUPAC1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20N4O3S2/c25-19(23-20-22-17(14-28-20)16-10-4-6-12-21-16)18-11-5-7-13-24(18)29(26,27)15-8-2-1-3-9-15/h1-4,6,8-10,12,14,18H,5,7,11,13H2,(H,22,23,25)
InChIKeyXOEQRNZTZWLPOW-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.39
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide

1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide (PubChem CID 55339409) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide
PubChem CID55339409
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC Name1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20N4O3S2/c25-19(23-20-22-17(14-28-20)16-10-4-6-12-21-16)18-11-5-7-13-24(18)29(26,27)15-8-2-1-3-9-15/h1-4,6,8-10,12,14,18H,5,7,11,13H2,(H,22,23,25)
InChIKeyXOEQRNZTZWLPOW-UHFFFAOYSA-N
XLogP3.39
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 2318282
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78843116
1-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16831864
1-(benzenesulfonyl)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 55334760
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 18077763
1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827760
1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827761
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
(2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55937479
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5078395
1-(benzenesulfonyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 4877808
1-(3-chloro-4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 41163950

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide (CID 55339409) is 1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The InChIKey is XOEQRNZTZWLPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c25-19(23-20-22-17(14-28-20)16-10-4-6-12-21-16)18-11-5-7-13-24(18)29(26,27)15-8-2-1-3-9-15/h1-4,6,8-10,12,14,18H,5,7,11,13H2,(H,22,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 55339409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).