N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C18H14ClF3N4O2S2 — CID 35657958

About N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 35657958) has the molecular formula C18H14ClF3N4O2S2 and a molecular weight of 474.92 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 35657958
• Molecular Formula: C18H14ClF3N4O2S2
• Molecular Weight: 474.92 g/mol
• Exact Mass: 474.02
• IUPAC Name: N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• SMILES: COc1ccccc1Nc1nnc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)s1
• InChI: InChI=1S/C18H14ClF3N4O2S2/c1-28-13-8-3-2-7-12(13)23-16-25-26-17(30-16)29-9-14(27)24-15-10(18(20,21)22)5-4-6-11(15)19/h2-8H,9H2,1H3,(H,23,25)(H,24,27)
• InChIKey: GVDNXXNWFHERBE-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.92
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 35657958) is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is COc1ccccc1Nc1nnc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)s1.

What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is GVDNXXNWFHERBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O2S2/c1-28-13-8-3-2-7-12(13)23-16-25-26-17(30-16)29-9-14(27)24-15-10(18(20,21)22)5-4-6-11(15)19/h2-8H,9H2,1H3,(H,23,25)(H,24,27).

What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 474.92 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 35657958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).