N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide

C30H33N5OS — CID 4041282

About N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide

N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide (PubChem CID 4041282) has the molecular formula C30H33N5OS and a molecular weight of 511.70 g/mol. Its IUPAC name is N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide
• PubChem CID: 4041282
• Molecular Formula: C30H33N5OS
• Molecular Weight: 511.70 g/mol
• Exact Mass: 511.24
• IUPAC Name: N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide
• SMILES: Cc1ccc(Cc2nsc(N3CCN(CCNC(=O)C(c4ccccc4)c4ccccc4)CC3)n2)cc1
• InChI: InChI=1S/C30H33N5OS/c1-23-12-14-24(15-13-23)22-27-32-30(37-33-27)35-20-18-34(19-21-35)17-16-31-29(36)28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,28H,16-22H2,1H3,(H,31,36)
• InChIKey: IXMIVUHUHIFQEI-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.70
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide?

The IUPAC name of N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide (CID 4041282) is N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide.

What is the SMILES notation for N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide?

The canonical SMILES for N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide is Cc1ccc(Cc2nsc(N3CCN(CCNC(=O)C(c4ccccc4)c4ccccc4)CC3)n2)cc1.

What is the InChIKey of N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide?

The InChIKey is IXMIVUHUHIFQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5OS/c1-23-12-14-24(15-13-23)22-27-32-30(37-33-27)35-20-18-34(19-21-35)17-16-31-29(36)28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,28H,16-22H2,1H3,(H,31,36).

What are the key properties of N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide?

N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide has a molecular weight of 511.70 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 4041282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).