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

C30H33N5O2S — CID 5141129

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

N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide (PubChem CID 5141129) has the molecular formula C30H33N5O2S and a molecular weight of 527.69 g/mol. Its IUPAC name is N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide
• PubChem CID: 5141129
• Molecular Formula: C30H33N5O2S
• Molecular Weight: 527.69 g/mol
• Exact Mass: 527.24
• IUPAC Name: N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide
• SMILES: COc1cccc(Cc2nsc(N3CCN(CCNC(=O)C(c4ccccc4)c4ccccc4)CC3)n2)c1
• InChI: InChI=1S/C30H33N5O2S/c1-37-26-14-8-9-23(21-26)22-27-32-30(38-33-27)35-19-17-34(18-20-35)16-15-31-29(36)28(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-14,21,28H,15-20,22H2,1H3,(H,31,36)
• InChIKey: HXLBTGDOOJNBSJ-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.69
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide (CID 5141129) is N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide.

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

The canonical SMILES for N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide is COc1cccc(Cc2nsc(N3CCN(CCNC(=O)C(c4ccccc4)c4ccccc4)CC3)n2)c1.

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

The InChIKey is HXLBTGDOOJNBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2S/c1-37-26-14-8-9-23(21-26)22-27-32-30(38-33-27)35-19-17-34(18-20-35)16-15-31-29(36)28(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-14,21,28H,15-20,22H2,1H3,(H,31,36).

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

N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide has a molecular weight of 527.69 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 5141129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).