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

C20H15FN2O4S — CID 108653453

IUPAC3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)C2c2ccco2)s1
InChIInChI=1S/C20H15FN2O4S/c1-10-19(28-11(2)22-10)17(24)15-16(14-7-4-8-27-14)23(20(26)18(15)25)13-6-3-5-12(21)9-13/h3-9,16,25H,1-2H3
InChIKeyCWIPHPIVXLVOGF-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.27
Rot. Bonds4

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

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108653453) has the molecular formula C20H15FN2O4S and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108653453
Molecular FormulaC20H15FN2O4S
Molecular Weight398.42 g/mol
Exact Mass398.07
IUPAC Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)C2c2ccco2)s1
InChIInChI=1S/C20H15FN2O4S/c1-10-19(28-11(2)22-10)17(24)15-16(14-7-4-8-27-14)23(20(26)18(15)25)13-6-3-5-12(21)9-13/h3-9,16,25H,1-2H3
InChIKeyCWIPHPIVXLVOGF-UHFFFAOYSA-N
XLogP4.27
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625270
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108655627
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735530
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 108637644
1-(3,4-difluorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584189
1-(3-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108575456
1-(3,4-difluorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108606504
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(4-fluorophenyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625444
1-(3,5-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108638234
1-(3,4-difluorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108587403
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677184
(2R)-1-[3-(diethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 7011175

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one (CID 108653453) is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3cccc(F)c3)C2c2ccco2)s1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is CWIPHPIVXLVOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4S/c1-10-19(28-11(2)22-10)17(24)15-16(14-7-4-8-27-14)23(20(26)18(15)25)13-6-3-5-12(21)9-13/h3-9,16,25H,1-2H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one?
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 398.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(3-fluorophenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108653453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).