N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C15H12Cl2N4OS4 — CID 30110125

About N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 30110125) has the molecular formula C15H12Cl2N4OS4 and a molecular weight of 463.46 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 30110125
• Molecular Formula: C15H12Cl2N4OS4
• Molecular Weight: 463.46 g/mol
• Exact Mass: 461.93
• IUPAC Name: N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
• SMILES: CCSc1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)s1
• InChI: InChI=1S/C15H12Cl2N4OS4/c1-2-23-14-20-21-15(26-14)25-7-12(22)19-13-18-11(6-24-13)8-3-4-9(16)10(17)5-8/h3-6H,2,7H2,1H3,(H,18,19,22)
• InChIKey: ZTJWWPLKBPMNOU-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.46
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 30110125) is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CCSc1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)s1.

What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is ZTJWWPLKBPMNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4OS4/c1-2-23-14-20-21-15(26-14)25-7-12(22)19-13-18-11(6-24-13)8-3-4-9(16)10(17)5-8/h3-6H,2,7H2,1H3,(H,18,19,22).

What are the key properties of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 463.46 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 30110125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).