N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C17H11FN4O3S2 — CID 2430503

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2430503) has the molecular formula C17H11FN4O3S2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 2430503
• Molecular Formula: C17H11FN4O3S2
• Molecular Weight: 402.43 g/mol
• Exact Mass: 402.03
• IUPAC Name: N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: O=C(CSc1nnc(-c2ccco2)o1)Nc1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C17H11FN4O3S2/c18-11-5-3-10(4-6-11)12-8-26-16(19-12)20-14(23)9-27-17-22-21-15(25-17)13-2-1-7-24-13/h1-8H,9H2,(H,19,20,23)
• InChIKey: QOIZIWYTCNXGSP-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 94.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.43
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2430503) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2ccco2)o1)Nc1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is QOIZIWYTCNXGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O3S2/c18-11-5-3-10(4-6-11)12-8-26-16(19-12)20-14(23)9-27-17-22-21-15(25-17)13-2-1-7-24-13/h1-8H,9H2,(H,19,20,23).

What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 402.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2430503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).