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

C17H13ClF3N5O2S2 — CID 2439059

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

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2439059) has the molecular formula C17H13ClF3N5O2S2 and a molecular weight of 475.91 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 2439059
• Molecular Formula: C17H13ClF3N5O2S2
• Molecular Weight: 475.91 g/mol
• Exact Mass: 475.02
• IUPAC Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• SMILES: COc1ccccc1Nc1nnc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)s1
• InChI: InChI=1S/C17H13ClF3N5O2S2/c1-28-12-5-3-2-4-11(12)23-15-25-26-16(30-15)29-8-13(27)24-14-10(18)6-9(7-22-14)17(19,20)21/h2-7H,8H2,1H3,(H,23,25)(H,22,24,27)
• InChIKey: MDIGFNWAGMLBIC-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.91
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 2439059) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

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

The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is COc1ccccc1Nc1nnc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)s1.

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

The InChIKey is MDIGFNWAGMLBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N5O2S2/c1-28-12-5-3-2-4-11(12)23-15-25-26-16(30-15)29-8-13(27)24-14-10(18)6-9(7-22-14)17(19,20)21/h2-7H,8H2,1H3,(H,23,25)(H,22,24,27).

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

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 475.91 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2439059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).