N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide

C19H20N4O2S3 — CID 27349461

About N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide

N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 27349461) has the molecular formula C19H20N4O2S3 and a molecular weight of 432.60 g/mol. Its IUPAC name is N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide
• PubChem CID: 27349461
• Molecular Formula: C19H20N4O2S3
• Molecular Weight: 432.60 g/mol
• Exact Mass: 432.07
• IUPAC Name: N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide
• SMILES: CC(=O)NCCc1ccc(C(=O)CSc2nnc(Nc3cccc(C)c3)s2)s1
• InChI: InChI=1S/C19H20N4O2S3/c1-12-4-3-5-14(10-12)21-18-22-23-19(28-18)26-11-16(25)17-7-6-15(27-17)8-9-20-13(2)24/h3-7,10H,8-9,11H2,1-2H3,(H,20,24)(H,21,22)
• InChIKey: OUMMSJPNXUBHBF-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.60
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide?

The IUPAC name of N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide (CID 27349461) is N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide.

What is the SMILES notation for N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide?

The canonical SMILES for N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)CSc2nnc(Nc3cccc(C)c3)s2)s1.

What is the InChIKey of N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide?

The InChIKey is OUMMSJPNXUBHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S3/c1-12-4-3-5-14(10-12)21-18-22-23-19(28-18)26-11-16(25)17-7-6-15(27-17)8-9-20-13(2)24/h3-7,10H,8-9,11H2,1-2H3,(H,20,24)(H,21,22).

What are the key properties of N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide?

N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 432.60 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 27349461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).