4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol

C24H29N7OS — CID 162008848

About 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol

4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol (PubChem CID 162008848) has the molecular formula C24H29N7OS and a molecular weight of 463.61 g/mol. Its IUPAC name is 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol.

Molecular Properties

• Compound Name: 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol
• PubChem CID: 162008848
• Molecular Formula: C24H29N7OS
• Molecular Weight: 463.61 g/mol
• Exact Mass: 463.22
• IUPAC Name: 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol
• SMILES: CCc1cnc(N2CCC(c3nc(CC)cs3)CC2)nc1.Oc1ccc(-n2ccnn2)cc1
• InChI: InChI=1S/C16H22N4S.C8H7N3O/c1-3-12-9-17-16(18-10-12)20-7-5-13(6-8-20)15-19-14(4-2)11-21-15;12-8-3-1-7(2-4-8)11-6-5-9-10-11/h9-11,13H,3-8H2,1-2H3;1-6,12H
• InChIKey: YTESKRHIXDTZNH-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 92.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.61
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol?

The IUPAC name of 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol (CID 162008848) is 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol.

What is the SMILES notation for 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol?

The canonical SMILES for 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol is CCc1cnc(N2CCC(c3nc(CC)cs3)CC2)nc1.Oc1ccc(-n2ccnn2)cc1.

What is the InChIKey of 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol?

The InChIKey is YTESKRHIXDTZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S.C8H7N3O/c1-3-12-9-17-16(18-10-12)20-7-5-13(6-8-20)15-19-14(4-2)11-21-15;12-8-3-1-7(2-4-8)11-6-5-9-10-11/h9-11,13H,3-8H2,1-2H3;1-6,12H.

What are the key properties of 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol?

4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol has a molecular weight of 463.61 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-(triazol-1-yl)phenol is sourced from PubChem (CID 162008848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).