N-[2-(difluoromethoxy)phenyl]-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C19H18F2N4O2S2 — CID 2405006

About N-[2-(difluoromethoxy)phenyl]-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-[2-(difluoromethoxy)phenyl]-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2405006) has the molecular formula C19H18F2N4O2S2 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[2-(difluoromethoxy)phenyl]-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 2405006
• Molecular Formula: C19H18F2N4O2S2
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.08
• IUPAC Name: N-[2-(difluoromethoxy)phenyl]-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
• SMILES: Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3OC(F)F)s2)cc1C
• InChI: InChI=1S/C19H18F2N4O2S2/c1-11-7-8-13(9-12(11)2)22-18-24-25-19(29-18)28-10-16(26)23-14-5-3-4-6-15(14)27-17(20)21/h3-9,17H,10H2,1-2H3,(H,22,24)(H,23,26)
• InChIKey: IFOHGRUZTQWARH-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 2405006) is N-[2-(difluoromethoxy)phenyl]-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

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

The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3OC(F)F)s2)cc1C.

What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is IFOHGRUZTQWARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2S2/c1-11-7-8-13(9-12(11)2)22-18-24-25-19(29-18)28-10-16(26)23-14-5-3-4-6-15(14)27-17(20)21/h3-9,17H,10H2,1-2H3,(H,22,24)(H,23,26).

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

N-[2-(difluoromethoxy)phenyl]-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 436.51 g/mol, XLogP of 5.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(difluoromethoxy)phenyl]-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2405006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).