1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one

C22H24N2O3S — CID 108652590

IUPAC1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)C2c2ccccc2C)s1
InChIInChI=1S/C22H24N2O3S/c1-12-8-4-7-11-16(12)18-17(19(25)21-13(2)23-14(3)28-21)20(26)22(27)24(18)15-9-5-6-10-15/h4,7-8,11,15,18,26H,5-6,9-10H2,1-3H3
InChIKeyCMQZFLVTDKBULA-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.59
Rot. Bonds4

About 1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one

1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one (PubChem CID 108652590) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
PubChem CID108652590
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)C2c2ccccc2C)s1
InChIInChI=1S/C22H24N2O3S/c1-12-8-4-7-11-16(12)18-17(19(25)21-13(2)23-14(3)28-21)20(26)22(27)24(18)15-9-5-6-10-15/h4,7-8,11,15,18,26H,5-6,9-10H2,1-3H3
InChIKeyCMQZFLVTDKBULA-UHFFFAOYSA-N
XLogP4.59
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108651807
1-cyclopentyl-2-[4-(dimethylamino)phenyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108616085
1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108614080
1-cyclohexyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108613536
1-cyclopentyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 108640911
1-cyclopentyl-2-(3,4-dimethoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108580383
1-(3,4-difluorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108606504
1-cyclopentyl-4-hydroxy-2-(1-methylindol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108606070
1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108604504
ethyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-5-oxo-2-pyridin-2-yl-2H-pyrrol-1-yl]piperidine-1-carboxylate
CID 108692286
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108642624
1-cyclopentyl-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108614081

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one (CID 108652590) is 1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one is Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(C3CCCC3)C2c2ccccc2C)s1.
What is the InChIKey of 1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is CMQZFLVTDKBULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-12-8-4-7-11-16(12)18-17(19(25)21-13(2)23-14(3)28-21)20(26)22(27)24(18)15-9-5-6-10-15/h4,7-8,11,15,18,26H,5-6,9-10H2,1-3H3.
What are the key properties of 1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one?
1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 396.51 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108652590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).