N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C22H22N6OS — CID 2578252

About N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2578252) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 2578252
• Molecular Formula: C22H22N6OS
• Molecular Weight: 418.53 g/mol
• Exact Mass: 418.16
• IUPAC Name: N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1ccnc2nc(C(=O)Nc3nc(-c4ccc(C5CCCCC5)cc4)cs3)nn12
• InChI: InChI=1S/C22H22N6OS/c1-14-11-12-23-21-25-19(27-28(14)21)20(29)26-22-24-18(13-30-22)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,24,26,29)
• InChIKey: LBIFDYOBJHVQOG-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 85.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.53
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2578252) is N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)Nc3nc(-c4ccc(C5CCCCC5)cc4)cs3)nn12.

What is the InChIKey of N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is LBIFDYOBJHVQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS/c1-14-11-12-23-21-25-19(27-28(14)21)20(29)26-22-24-18(13-30-22)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,24,26,29).

What are the key properties of N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2578252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).