2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one

C28H31N3O3S — CID 108711074

IUPAC2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCN(CC)c1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2C)cc1
InChIInChI=1S/C28H31N3O3S/c1-7-30(8-2)21-12-10-20(11-13-21)24-23(25(32)27-18(5)29-19(6)35-27)26(33)28(34)31(24)22-14-9-16(3)15-17(22)4/h9-15,24,33H,7-8H2,1-6H3
InChIKeyRRICSMWQVXPMAO-UHFFFAOYSA-N
MW489.64 g/mol
LogP6.01
Rot. Bonds7

About 2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one

2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108711074) has the molecular formula C28H31N3O3S and a molecular weight of 489.64 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID108711074
Molecular FormulaC28H31N3O3S
Molecular Weight489.64 g/mol
Exact Mass489.21
IUPAC Name2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCN(CC)c1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2C)cc1
InChIInChI=1S/C28H31N3O3S/c1-7-30(8-2)21-12-10-20(11-13-21)24-23(25(32)27-18(5)29-19(6)35-27)26(33)28(34)31(24)22-14-9-16(3)15-17(22)4/h9-15,24,33H,7-8H2,1-6H3
InChIKeyRRICSMWQVXPMAO-UHFFFAOYSA-N
XLogP6.01
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108633705
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108642624
1-(2,5-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-ethoxy-4-methoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108704089
2-[4-(diethylamino)phenyl]-1-[(2,5-dimethylphenyl)methyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108711423
1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-[4-(diethylamino)phenyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 4734074
2-[4-(dimethylamino)phenyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108615911
2-(4-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 4734919
1-(3,5-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108638234
1-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735393
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108582192
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108578091
1-(3-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598756

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one (CID 108711074) is 2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one is CCN(CC)c1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2c2ccc(C)cc2C)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is RRICSMWQVXPMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3S/c1-7-30(8-2)21-12-10-20(11-13-21)24-23(25(32)27-18(5)29-19(6)35-27)26(33)28(34)31(24)22-14-9-16(3)15-17(22)4/h9-15,24,33H,7-8H2,1-6H3.
What are the key properties of 2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one?
2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 489.64 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-1-(2,4-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108711074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).