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

C23H22N2O3S2 — CID 108663151

IUPAC4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-methylthiophen-2-yl)-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)C1c1sccc1C
InChIInChI=1S/C23H22N2O3S2/c1-4-11-25-17(20-13(2)10-12-29-20)16(19(27)23(25)28)18(26)21-14(3)24-22(30-21)15-8-6-5-7-9-15/h5-10,12,17,27H,4,11H2,1-3H3
InChIKeyPSVGKTVMVRMELK-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.48
Rot. Bonds6

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

4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-methylthiophen-2-yl)-1-propyl-2H-pyrrol-5-one (PubChem CID 108663151) has the molecular formula C23H22N2O3S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-methylthiophen-2-yl)-1-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-methylthiophen-2-yl)-1-propyl-2H-pyrrol-5-one
PubChem CID108663151
Molecular FormulaC23H22N2O3S2
Molecular Weight438.57 g/mol
Exact Mass438.11
IUPAC Name4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-methylthiophen-2-yl)-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)C1c1sccc1C
InChIInChI=1S/C23H22N2O3S2/c1-4-11-25-17(20-13(2)10-12-29-20)16(19(27)23(25)28)18(26)21-14(3)24-22(30-21)15-8-6-5-7-9-15/h5-10,12,17,27H,4,11H2,1-3H3
InChIKeyPSVGKTVMVRMELK-UHFFFAOYSA-N
XLogP5.48
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-pentoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108585849
1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634896
4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635068
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-phenyl-2H-pyrrol-5-one
CID 5267617
4-hydroxy-1-(2-methoxyethyl)-2-(2-methylphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108650503
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(2-methylphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108652069
4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one
CID 108615026
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(2-methylphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108651982
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
4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(2-propan-2-yloxyethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108625184
1-[2-(diethylamino)ethyl]-4-hydroxy-2-(5-methylfuran-2-yl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 4711135
1-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 5267364

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-methylthiophen-2-yl)-1-propyl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-methylthiophen-2-yl)-1-propyl-2H-pyrrol-5-one (CID 108663151) is 4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-methylthiophen-2-yl)-1-propyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-methylthiophen-2-yl)-1-propyl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-methylthiophen-2-yl)-1-propyl-2H-pyrrol-5-one is CCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)C1c1sccc1C.
What is the InChIKey of 4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-methylthiophen-2-yl)-1-propyl-2H-pyrrol-5-one?
The InChIKey is PSVGKTVMVRMELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S2/c1-4-11-25-17(20-13(2)10-12-29-20)16(19(27)23(25)28)18(26)21-14(3)24-22(30-21)15-8-6-5-7-9-15/h5-10,12,17,27H,4,11H2,1-3H3.
What are the key properties of 4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-methylthiophen-2-yl)-1-propyl-2H-pyrrol-5-one?
4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-methylthiophen-2-yl)-1-propyl-2H-pyrrol-5-one has a molecular weight of 438.57 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(3-methylthiophen-2-yl)-1-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 108663151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).