(2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C28H29N3O5S — CID 51568021

IUPAC(2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1cccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C28H29N3O5S/c1-18-26(37-27(29-18)19-7-4-3-5-8-19)24(32)22-23(20-9-6-10-21(17-20)35-2)31(28(34)25(22)33)12-11-30-13-15-36-16-14-30/h3-10,17,23,33H,11-16H2,1-2H3/t23-/m0/s1
InChIKeyLVFDPTZSNNOSIV-QHCPKHFHSA-N
MW519.62 g/mol
LogP4.04
Rot. Bonds8

About (2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

(2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 51568021) has the molecular formula C28H29N3O5S and a molecular weight of 519.62 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID51568021
Molecular FormulaC28H29N3O5S
Molecular Weight519.62 g/mol
Exact Mass519.18
IUPAC Name(2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCOc1cccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C28H29N3O5S/c1-18-26(37-27(29-18)19-7-4-3-5-8-19)24(32)22-23(20-9-6-10-21(17-20)35-2)31(28(34)25(22)33)12-11-30-13-15-36-16-14-30/h3-10,17,23,33H,11-16H2,1-2H3/t23-/m0/s1
InChIKeyLVFDPTZSNNOSIV-QHCPKHFHSA-N
XLogP4.04
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2950274
4-hydroxy-2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108689675
4-hydroxy-2-(3-methoxyphenyl)-1-(3-methoxypropyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108613610
4-hydroxy-2-(4-methylphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 5268388
4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 2950498
(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-phenyl-2H-pyrrol-5-one
CID 40835319
4-hydroxy-1-(2-methoxyethyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 108691274
3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 568033
(2S)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 1255776
1-cyclopentyl-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108614081
2-(furan-2-yl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 2950140
4-hydroxy-1-(2-methoxyethyl)-2-[3-[(4-methylphenyl)methoxy]phenyl]-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108705308

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 51568021) is (2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is COc1cccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CCN2CCOCC2)c1.
What is the InChIKey of (2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is LVFDPTZSNNOSIV-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H29N3O5S/c1-18-26(37-27(29-18)19-7-4-3-5-8-19)24(32)22-23(20-9-6-10-21(17-20)35-2)31(28(34)25(22)33)12-11-30-13-15-36-16-14-30/h3-10,17,23,33H,11-16H2,1-2H3/t23-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
(2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 519.62 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(3-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 51568021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).