2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone

C24H35N5OS — CID 110095859

About 2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone

2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110095859) has the molecular formula C24H35N5OS and a molecular weight of 441.65 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 110095859
• Molecular Formula: C24H35N5OS
• Molecular Weight: 441.65 g/mol
• Exact Mass: 441.26
• IUPAC Name: 2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone
• SMILES: CCCc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)CC3CCCCC3)CC2)n1
• InChI: InChI=1S/C24H35N5OS/c1-3-7-20-15-21(28-24-25-16-17(2)31-24)27-23(26-20)19-10-12-29(13-11-19)22(30)14-18-8-5-4-6-9-18/h15-16,18-19H,3-14H2,1-2H3,(H,25,26,27,28)
• InChIKey: CXWKZCVBUTZCLF-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.65
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone (CID 110095859) is 2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone is CCCc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)CC3CCCCC3)CC2)n1.

What is the InChIKey of 2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone?

The InChIKey is CXWKZCVBUTZCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5OS/c1-3-7-20-15-21(28-24-25-16-17(2)31-24)27-23(26-20)19-10-12-29(13-11-19)22(30)14-18-8-5-4-6-9-18/h15-16,18-19H,3-14H2,1-2H3,(H,25,26,27,28).

What are the key properties of 2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone?

2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 441.65 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-1-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-propylpyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110095859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).