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

C24H29N5O2S — CID 3598265

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

N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-4-methylbenzamide (PubChem CID 3598265) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-4-methylbenzamide
• PubChem CID: 3598265
• Molecular Formula: C24H29N5O2S
• Molecular Weight: 451.60 g/mol
• Exact Mass: 451.20
• IUPAC Name: N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-4-methylbenzamide
• SMILES: COc1cccc(Cc2nsc(N3CCN(CCNC(=O)c4ccc(C)cc4)CC3)n2)c1
• InChI: InChI=1S/C24H29N5O2S/c1-18-6-8-20(9-7-18)23(30)25-10-11-28-12-14-29(15-13-28)24-26-22(27-32-24)17-19-4-3-5-21(16-19)31-2/h3-9,16H,10-15,17H2,1-2H3,(H,25,30)
• InChIKey: NBNQGIVWIYTVSY-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.60
LogP ≤ 5	3.00
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]-4-methylbenzamide?

The IUPAC name of N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-4-methylbenzamide (CID 3598265) is N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-4-methylbenzamide.

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

The canonical SMILES for N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-4-methylbenzamide is COc1cccc(Cc2nsc(N3CCN(CCNC(=O)c4ccc(C)cc4)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]-4-methylbenzamide?

The InChIKey is NBNQGIVWIYTVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-18-6-8-20(9-7-18)23(30)25-10-11-28-12-14-29(15-13-28)24-26-22(27-32-24)17-19-4-3-5-21(16-19)31-2/h3-9,16H,10-15,17H2,1-2H3,(H,25,30).

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

N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-4-methylbenzamide has a molecular weight of 451.60 g/mol, XLogP of 3.00, 8 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]-4-methylbenzamide is sourced from PubChem (CID 3598265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).