3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one

C19H15N3O4S — CID 3146573

IUPAC3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(C)s2)cc1
InChIInChI=1S/C19H15N3O4S/c1-10-5-7-12(8-6-10)15-14(16(23)13-4-3-9-26-13)17(24)18(25)22(15)19-21-20-11(2)27-19/h3-9,15,24H,1-2H3
InChIKeyUCSJLIKOWGXICD-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.53
Rot. Bonds4

About 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one (PubChem CID 3146573) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
PubChem CID3146573
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(C)s2)cc1
InChIInChI=1S/C19H15N3O4S/c1-10-5-7-12(8-6-10)15-14(16(23)13-4-3-9-26-13)17(24)18(25)22(15)19-21-20-11(2)27-19/h3-9,15,24H,1-2H3
InChIKeyUCSJLIKOWGXICD-UHFFFAOYSA-N
XLogP3.53
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one (CID 3146573) is 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one is Cc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(C)s2)cc1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
The InChIKey is UCSJLIKOWGXICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c1-10-5-7-12(8-6-10)15-14(16(23)13-4-3-9-26-13)17(24)18(25)22(15)19-21-20-11(2)27-19/h3-9,15,24H,1-2H3.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one has a molecular weight of 381.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 3146573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).