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

C18H12FN3O4S — CID 2913184

IUPAC2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
SMILESCc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(F)cc2)s1
InChIInChI=1S/C18H12FN3O4S/c1-9-20-21-18(27-9)22-14(10-4-6-11(19)7-5-10)13(16(24)17(22)25)15(23)12-3-2-8-26-12/h2-8,14,24H,1H3
InChIKeySRPOXSMTEGAKDP-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.36
Rot. Bonds4

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

2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one (PubChem CID 2913184) has the molecular formula C18H12FN3O4S and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
PubChem CID2913184
Molecular FormulaC18H12FN3O4S
Molecular Weight385.38 g/mol
Exact Mass385.05
IUPAC Name2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
SMILESCc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(F)cc2)s1
InChIInChI=1S/C18H12FN3O4S/c1-9-20-21-18(27-9)22-14(10-4-6-11(19)7-5-10)13(16(24)17(22)25)15(23)12-3-2-8-26-12/h2-8,14,24H,1H3
InChIKeySRPOXSMTEGAKDP-UHFFFAOYSA-N
XLogP3.36
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-Furoyl)-3-hydroxy-5-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-YL)-1,5-dihydro-2H-pyrrol-2-one
CID 3146573
5-(3-butoxyphenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 4368409
4-(2-furoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 2910730
5-[4-(allyloxy)phenyl]-4-(2-furoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 2911470
(4E)-5-(3,4-dimethoxyphenyl)-4-[furan-2-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
CID 2911539
(4E)-4-[furan-2-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
CID 3146574
4-(furan-2-carbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
CID 3154081
5-(3-Ethoxy-phenyl)-4-(furan-2-carbonyl)-3-hydroxy-1-(5-methyl-[1,3,4]thiadiazol-2-yl)-1,5-dihydro-pyrrol-2-one
CID 3154095
5-(3-Ethoxy-phenyl)-3-hydroxy-4-(5-methyl-furan-2-carbonyl)-1-(5-methyl-[1,3,4]thiadiazol-2-yl)-1,5-dihydro-pyrrol-2-one
CID 3154105
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 3212619
(4E)-4-[furan-2-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(naphthalen-1-yl)pyrrolidine-2,3-dione
CID 3719648
1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4220055

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one (CID 2913184) is 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one is Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
The InChIKey is SRPOXSMTEGAKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O4S/c1-9-20-21-18(27-9)22-14(10-4-6-11(19)7-5-10)13(16(24)17(22)25)15(23)12-3-2-8-26-12/h2-8,14,24H,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one?
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one has a molecular weight of 385.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 2913184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).