5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile

C11H12N6S — CID 122478416

IUPAC5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1csc(N2CCCCC2)n1
InChIInChI=1S/C11H12N6S/c12-6-8-10(15-16-14-8)9-7-18-11(13-9)17-4-2-1-3-5-17/h7H,1-5H2,(H,14,15,16)
InChIKeyVYDBIWSQPPEKOW-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.79
Rot. Bonds2

About 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile

5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile (PubChem CID 122478416) has the molecular formula C11H12N6S and a molecular weight of 260.33 g/mol. Its IUPAC name is 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile
PubChem CID122478416
Molecular FormulaC11H12N6S
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC Name5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1csc(N2CCCCC2)n1
InChIInChI=1S/C11H12N6S/c12-6-8-10(15-16-14-8)9-7-18-11(13-9)17-4-2-1-3-5-17/h7H,1-5H2,(H,14,15,16)
InChIKeyVYDBIWSQPPEKOW-UHFFFAOYSA-N
XLogP1.79
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile?
The IUPAC name of 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile (CID 122478416) is 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1csc(N2CCCCC2)n1.
What is the InChIKey of 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile?
The InChIKey is VYDBIWSQPPEKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S/c12-6-8-10(15-16-14-8)9-7-18-11(13-9)17-4-2-1-3-5-17/h7H,1-5H2,(H,14,15,16).
What are the key properties of 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile?
5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile has a molecular weight of 260.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122478416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).