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

C24H23N3O3S — CID 108634896

IUPAC1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESCCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)C1c1ccncc1
InChIInChI=1S/C24H23N3O3S/c1-3-4-14-27-19(16-10-12-25-13-11-16)18(21(29)24(27)30)20(28)22-15(2)26-23(31-22)17-8-6-5-7-9-17/h5-13,19,29H,3-4,14H2,1-2H3
InChIKeyQKNDBAUCVBONGP-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.89
Rot. Bonds7

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

1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one (PubChem CID 108634896) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
PubChem CID108634896
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESCCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)C1c1ccncc1
InChIInChI=1S/C24H23N3O3S/c1-3-4-14-27-19(16-10-12-25-13-11-16)18(21(29)24(27)30)20(28)22-15(2)26-23(31-22)17-8-6-5-7-9-17/h5-13,19,29H,3-4,14H2,1-2H3
InChIKeyQKNDBAUCVBONGP-UHFFFAOYSA-N
XLogP4.89
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.89
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)-1-pentyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635068
1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594360
1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635397
4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-pentoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108585849
4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one
CID 108615026
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-methoxyphenyl)methyl]-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108592968
2-(4-fluorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108643009
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 5267375
1-[3-(diethylamino)propyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 5268484
4-hydroxy-1-(3-methoxypropyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108586197
4-hydroxy-2-(3-methoxyphenyl)-1-(3-methoxypropyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108613610

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The IUPAC name of 1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one (CID 108634896) is 1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one is CCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)C1c1ccncc1.
What is the InChIKey of 1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The InChIKey is QKNDBAUCVBONGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-3-4-14-27-19(16-10-12-25-13-11-16)18(21(29)24(27)30)20(28)22-15(2)26-23(31-22)17-8-6-5-7-9-17/h5-13,19,29H,3-4,14H2,1-2H3.
What are the key properties of 1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one has a molecular weight of 433.53 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108634896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).