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

C14H16N4O3S2 — CID 5307272

IUPAC1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C14H16N4O3S2/c19-13(17-14-16-6-9-22-14)11-3-7-18(8-4-11)23(20,21)12-2-1-5-15-10-12/h1-2,5-6,9-11H,3-4,7-8H2,(H,16,17,19)
InChIKeyFKEMFDRZZZDSMX-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.58
Rot. Bonds4

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

1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 5307272) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID5307272
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC Name1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C14H16N4O3S2/c19-13(17-14-16-6-9-22-14)11-3-7-18(8-4-11)23(20,21)12-2-1-5-15-10-12/h1-2,5-6,9-11H,3-4,7-8H2,(H,16,17,19)
InChIKeyFKEMFDRZZZDSMX-UHFFFAOYSA-N
XLogP1.58
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide
CID 5327096
1-(3-((4-Pyridin-2-ylpiperazin-1-yl)sulfonyl)phenyl)-3-(1,3-thiazol-2-yl)urea
CID 12087505
2-Amino-5-thio-substituted thiazole 62
CID 5329698
2-Amino-5-thio-substituted thiazole 63
CID 5329699
N-(5-bromo-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2314215
N-(4-chloro-2-pyridinyl)-1-(2-thienylsulfonyl)-4-piperidinecarboxamide
CID 1190394
N-(5-chloro-2-pyridinyl)-1-(2-thienylsulfonyl)-4-piperidinecarboxamide
CID 2082265
1-((4-fluorophenyl)sulfonyl)-N-(thiazol-2-yl)piperidine-4-carboxamide
CID 4822373
1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 5309284
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 4822129
1-(4-Pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 44144356
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 334157

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 5307272) is 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is FKEMFDRZZZDSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c19-13(17-14-16-6-9-22-14)11-3-7-18(8-4-11)23(20,21)12-2-1-5-15-10-12/h1-2,5-6,9-11H,3-4,7-8H2,(H,16,17,19).
What are the key properties of 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 5307272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).