N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

C19H28N6OS — CID 119886604

IUPACN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCc1nc(C2CCCCC2)cs1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H28N6OS/c26-19(16-12-25(24-23-16)15-6-9-20-10-7-15)21-11-8-18-22-17(13-27-18)14-4-2-1-3-5-14/h12-15,20H,1-11H2,(H,21,26)
InChIKeySKHVGDYONRBJND-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119886604) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119886604
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC NameN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NCCc1nc(C2CCCCC2)cs1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H28N6OS/c26-19(16-12-25(24-23-16)15-6-9-20-10-7-15)21-11-8-18-22-17(13-27-18)14-4-2-1-3-5-14/h12-15,20H,1-11H2,(H,21,26)
InChIKeySKHVGDYONRBJND-UHFFFAOYSA-N
XLogP2.68
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide 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 N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119886604) is N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NCCc1nc(C2CCCCC2)cs1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is SKHVGDYONRBJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OS/c26-19(16-12-25(24-23-16)15-6-9-20-10-7-15)21-11-8-18-22-17(13-27-18)14-4-2-1-3-5-14/h12-15,20H,1-11H2,(H,21,26).
What are the key properties of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119886604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).