1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one

C29H27N3O3S — CID 108604504

IUPAC1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
SMILESCc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C29H27N3O3S/c1-17-27(36-28(31-17)18-10-4-2-5-11-18)25(33)23-24(21-16-30-22-15-9-8-14-20(21)22)32(29(35)26(23)34)19-12-6-3-7-13-19/h2,4-5,8-11,14-16,19,24,30,34H,3,6-7,12-13H2,1H3
InChIKeyLFAQNSWVGVCKAJ-UHFFFAOYSA-N
MW497.62 g/mol
LogP6.51
Rot. Bonds5

About 1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one

1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one (PubChem CID 108604504) has the molecular formula C29H27N3O3S and a molecular weight of 497.62 g/mol. Its IUPAC name is 1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
PubChem CID108604504
Molecular FormulaC29H27N3O3S
Molecular Weight497.62 g/mol
Exact Mass497.18
IUPAC Name1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
SMILESCc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C29H27N3O3S/c1-17-27(36-28(31-17)18-10-4-2-5-11-18)25(33)23-24(21-16-30-22-15-9-8-14-20(21)22)32(29(35)26(23)34)19-12-6-3-7-13-19/h2,4-5,8-11,14-16,19,24,30,34H,3,6-7,12-13H2,1H3
InChIKeyLFAQNSWVGVCKAJ-UHFFFAOYSA-N
XLogP6.51
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 108640911
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-(4-ethoxyphenyl)-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108681251
1-cyclopentyl-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108614081
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108604454
1-cyclohexyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108651807
1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108604497
1-cyclopentyl-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methylphenyl)-2H-pyrrol-5-one
CID 108652590
1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108646463
4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-phenyl-1-(4-piperidin-1-ylphenyl)-2H-pyrrol-5-one
CID 108677794
4-hydroxy-1-(2-methylphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 108639602
1-(4-chlorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 108639001

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 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) is 1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one is Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(C2CCCCC2)C1c1c[nH]c2ccccc12.
What is the InChIKey of 1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one?
The InChIKey is LFAQNSWVGVCKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3S/c1-17-27(36-28(31-17)18-10-4-2-5-11-18)25(33)23-24(21-16-30-22-15-9-8-14-20(21)22)32(29(35)26(23)34)19-12-6-3-7-13-19/h2,4-5,8-11,14-16,19,24,30,34H,3,6-7,12-13H2,1H3.
What are the key properties of 1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one?
1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one has a molecular weight of 497.62 g/mol, XLogP of 6.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108604504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).