(2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one

C24H17FN4O4S2 — CID 41029958

About (2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one

(2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one (PubChem CID 41029958) has the molecular formula C24H17FN4O4S2 and a molecular weight of 508.56 g/mol. Its IUPAC name is (2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: (2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
• PubChem CID: 41029958
• Molecular Formula: C24H17FN4O4S2
• Molecular Weight: 508.56 g/mol
• Exact Mass: 508.07
• IUPAC Name: (2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
• SMILES: Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccncc2)o1
• InChI: InChI=1S/C24H17FN4O4S2/c1-13-2-7-17(33-13)20(30)18-19(15-8-10-26-11-9-15)29(22(32)21(18)31)23-27-28-24(35-23)34-12-14-3-5-16(25)6-4-14/h2-11,19,31H,12H2,1H3/t19-/m1/s1
• InChIKey: JNBCFGIUVWLQOZ-LJQANCHMSA-N
• XLogP: 5.05
• TPSA: 109.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.56
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one?

The IUPAC name of (2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one (CID 41029958) is (2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one.

What is the SMILES notation for (2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one?

The canonical SMILES for (2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(SCc4ccc(F)cc4)s3)[C@@H]2c2ccncc2)o1.

What is the InChIKey of (2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one?

The InChIKey is JNBCFGIUVWLQOZ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H17FN4O4S2/c1-13-2-7-17(33-13)20(30)18-19(15-8-10-26-11-9-15)29(22(32)21(18)31)23-27-28-24(35-23)34-12-14-3-5-16(25)6-4-14/h2-11,19,31H,12H2,1H3/t19-/m1/s1.

What are the key properties of (2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one?

(2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one has a molecular weight of 508.56 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one is sourced from PubChem (CID 41029958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).