N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

C18H20ClN5OS — CID 74597194

About N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 74597194) has the molecular formula C18H20ClN5OS and a molecular weight of 389.91 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
• PubChem CID: 74597194
• Molecular Formula: C18H20ClN5OS
• Molecular Weight: 389.91 g/mol
• Exact Mass: 389.11
• IUPAC Name: N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
• SMILES: CCC(NC(=O)CSc1nc2nc(C)cc(C)n2n1)c1ccc(Cl)cc1
• InChI: InChI=1S/C18H20ClN5OS/c1-4-15(13-5-7-14(19)8-6-13)21-16(25)10-26-18-22-17-20-11(2)9-12(3)24(17)23-18/h5-9,15H,4,10H2,1-3H3,(H,21,25)
• InChIKey: XODRJEDBTPQZOX-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.91
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide (CID 74597194) is N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide is CCC(NC(=O)CSc1nc2nc(C)cc(C)n2n1)c1ccc(Cl)cc1.

What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?

The InChIKey is XODRJEDBTPQZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5OS/c1-4-15(13-5-7-14(19)8-6-13)21-16(25)10-26-18-22-17-20-11(2)9-12(3)24(17)23-18/h5-9,15H,4,10H2,1-3H3,(H,21,25).

What are the key properties of N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?

N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 389.91 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-chlorophenyl)propyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 74597194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).