2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

C16H15FN4O2S2 — CID 8633038

About 2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 8633038) has the molecular formula C16H15FN4O2S2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
• PubChem CID: 8633038
• Molecular Formula: C16H15FN4O2S2
• Molecular Weight: 378.45 g/mol
• Exact Mass: 378.06
• IUPAC Name: 2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
• SMILES: C[C@@H](NC(=O)CSc1nnc(Nc2cccc(F)c2)s1)c1ccco1
• InChI: InChI=1S/C16H15FN4O2S2/c1-10(13-6-3-7-23-13)18-14(22)9-24-16-21-20-15(25-16)19-12-5-2-4-11(17)8-12/h2-8,10H,9H2,1H3,(H,18,22)(H,19,20)/t10-/m1/s1
• InChIKey: ONUFVFFSUPMHLN-SNVBAGLBSA-N
• XLogP: 3.98
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.45
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (CID 8633038) is 2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.

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

The canonical SMILES for 2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is C[C@@H](NC(=O)CSc1nnc(Nc2cccc(F)c2)s1)c1ccco1.

What is the InChIKey of 2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?

The InChIKey is ONUFVFFSUPMHLN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15FN4O2S2/c1-10(13-6-3-7-23-13)18-14(22)9-24-16-21-20-15(25-16)19-12-5-2-4-11(17)8-12/h2-8,10H,9H2,1H3,(H,18,22)(H,19,20)/t10-/m1/s1.

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

2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 378.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 8633038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).