2-piperidin-4-yl-1,3-thiazole-4-carbonitrile

C9H11N3S — CID 162341042

IUPAC2-piperidin-4-yl-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(C2CCNCC2)n1
InChIInChI=1S/C9H11N3S/c10-5-8-6-13-9(12-8)7-1-3-11-4-2-7/h6-7,11H,1-4H2
InChIKeyMMGWMDFKYFEVKN-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.48
Rot. Bonds1

About 2-piperidin-4-yl-1,3-thiazole-4-carbonitrile

2-piperidin-4-yl-1,3-thiazole-4-carbonitrile (PubChem CID 162341042) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-piperidin-4-yl-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-piperidin-4-yl-1,3-thiazole-4-carbonitrile
PubChem CID162341042
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name2-piperidin-4-yl-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(C2CCNCC2)n1
InChIInChI=1S/C9H11N3S/c10-5-8-6-13-9(12-8)7-1-3-11-4-2-7/h6-7,11H,1-4H2
InChIKeyMMGWMDFKYFEVKN-UHFFFAOYSA-N
XLogP1.48
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-piperidin-4-yl-1,3-thiazole-4-carbonitrile (CID 162341042) is 2-piperidin-4-yl-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-piperidin-4-yl-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-piperidin-4-yl-1,3-thiazole-4-carbonitrile is N#Cc1csc(C2CCNCC2)n1.
What is the InChIKey of 2-piperidin-4-yl-1,3-thiazole-4-carbonitrile?
The InChIKey is MMGWMDFKYFEVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c10-5-8-6-13-9(12-8)7-1-3-11-4-2-7/h6-7,11H,1-4H2.
What are the key properties of 2-piperidin-4-yl-1,3-thiazole-4-carbonitrile?
2-piperidin-4-yl-1,3-thiazole-4-carbonitrile has a molecular weight of 193.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 162341042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).