6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile

C19H17N5S — CID 133392654

IUPAC6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(c3nc(-c4ccncc4)cs3)CC2)n1
InChIInChI=1S/C19H17N5S/c20-12-16-2-1-3-18(22-16)24-10-6-15(7-11-24)19-23-17(13-25-19)14-4-8-21-9-5-14/h1-5,8-9,13,15H,6-7,10-11H2
InChIKeyVXFARQADIZJLGQ-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.86
Rot. Bonds3

About 6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile

6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 133392654) has the molecular formula C19H17N5S and a molecular weight of 347.45 g/mol. Its IUPAC name is 6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID133392654
Molecular FormulaC19H17N5S
Molecular Weight347.45 g/mol
Exact Mass347.12
IUPAC Name6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(c3nc(-c4ccncc4)cs3)CC2)n1
InChIInChI=1S/C19H17N5S/c20-12-16-2-1-3-18(22-16)24-10-6-15(7-11-24)19-23-17(13-25-19)14-4-8-21-9-5-14/h1-5,8-9,13,15H,6-7,10-11H2
InChIKeyVXFARQADIZJLGQ-UHFFFAOYSA-N
XLogP3.86
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
4-pyridin-4-yl-2-[1-(4-pyrrol-1-ylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
CID 166358031
6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 129476628
6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133455457
4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile
CID 62540016
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 116965519
(2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide
CID 167800689
4-(4-methoxyphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole;hydrochloride
CID 71319327
N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074389
1-(6-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 163345350
2-cyclopropyl-1,3-thiazole-4-carbonitrile
CID 82651504
hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride
CID 71677758

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile (CID 133392654) is 6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCC(c3nc(-c4ccncc4)cs3)CC2)n1.
What is the InChIKey of 6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is VXFARQADIZJLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S/c20-12-16-2-1-3-18(22-16)24-10-6-15(7-11-24)19-23-17(13-25-19)14-4-8-21-9-5-14/h1-5,8-9,13,15H,6-7,10-11H2.
What are the key properties of 6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile?
6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 347.45 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133392654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).