1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C15H15N5OS — CID 16588058

IUPAC1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)Nc3nccs3)CC2)nc1
InChIInChI=1S/C15H15N5OS/c16-9-11-1-2-13(18-10-11)20-6-3-12(4-7-20)14(21)19-15-17-5-8-22-15/h1-2,5,8,10,12H,3-4,6-7H2,(H,17,19,21)
InChIKeyQGOFZUWSNZDNFL-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.26
Rot. Bonds3

About 1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 16588058) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID16588058
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)Nc3nccs3)CC2)nc1
InChIInChI=1S/C15H15N5OS/c16-9-11-1-2-13(18-10-11)20-6-3-12(4-7-20)14(21)19-15-17-5-8-22-15/h1-2,5,8,10,12H,3-4,6-7H2,(H,17,19,21)
InChIKeyQGOFZUWSNZDNFL-UHFFFAOYSA-N
XLogP2.26
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 16588058) is 1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)Nc3nccs3)CC2)nc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is QGOFZUWSNZDNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c16-9-11-1-2-13(18-10-11)20-6-3-12(4-7-20)14(21)19-15-17-5-8-22-15/h1-2,5,8,10,12H,3-4,6-7H2,(H,17,19,21).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 16588058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).