1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

C15H12ClN3O2S3 — CID 2410025

About 1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone (PubChem CID 2410025) has the molecular formula C15H12ClN3O2S3 and a molecular weight of 397.93 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
• PubChem CID: 2410025
• Molecular Formula: C15H12ClN3O2S3
• Molecular Weight: 397.93 g/mol
• Exact Mass: 396.98
• IUPAC Name: 1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
• SMILES: COc1ccc(Nc2nnc(SCC(=O)c3ccc(Cl)s3)s2)cc1
• InChI: InChI=1S/C15H12ClN3O2S3/c1-21-10-4-2-9(3-5-10)17-14-18-19-15(24-14)22-8-11(20)12-6-7-13(16)23-12/h2-7H,8H2,1H3,(H,17,18)
• InChIKey: FINBXROJJKMPGC-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.93
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?

The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone (CID 2410025) is 1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone is COc1ccc(Nc2nnc(SCC(=O)c3ccc(Cl)s3)s2)cc1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?

The InChIKey is FINBXROJJKMPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S3/c1-21-10-4-2-9(3-5-10)17-14-18-19-15(24-14)22-8-11(20)12-6-7-13(16)23-12/h2-7H,8H2,1H3,(H,17,18).

What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone?

1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 397.93 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 2410025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).