2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide

C16H15N5O3S3 — CID 2559237

About 2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 2559237) has the molecular formula C16H15N5O3S3 and a molecular weight of 421.53 g/mol. Its IUPAC name is 2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
• PubChem CID: 2559237
• Molecular Formula: C16H15N5O3S3
• Molecular Weight: 421.53 g/mol
• Exact Mass: 421.03
• IUPAC Name: 2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
• SMILES: COc1cccc(Nc2nnc(SCC(=O)Nc3sccc3C(N)=O)s2)c1
• InChI: InChI=1S/C16H15N5O3S3/c1-24-10-4-2-3-9(7-10)18-15-20-21-16(27-15)26-8-12(22)19-14-11(13(17)23)5-6-25-14/h2-7H,8H2,1H3,(H2,17,23)(H,18,20)(H,19,22)
• InChIKey: DIMXDRGMUBQHAI-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 119.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.53
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide?

The IUPAC name of 2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide (CID 2559237) is 2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide.

What is the SMILES notation for 2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide?

The canonical SMILES for 2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide is COc1cccc(Nc2nnc(SCC(=O)Nc3sccc3C(N)=O)s2)c1.

What is the InChIKey of 2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide?

The InChIKey is DIMXDRGMUBQHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S3/c1-24-10-4-2-3-9(7-10)18-15-20-21-16(27-15)26-8-12(22)19-14-11(13(17)23)5-6-25-14/h2-7H,8H2,1H3,(H2,17,23)(H,18,20)(H,19,22).

What are the key properties of 2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide?

2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.18, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2559237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).