3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one

C25H31N3O5S — CID 4735355

IUPAC3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccccc1C1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C25H31N3O5S/c1-4-13-33-19-8-6-5-7-18(19)21-20(22(29)24-16(2)26-17(3)34-24)23(30)25(31)28(21)10-9-27-11-14-32-15-12-27/h5-8,21,30H,4,9-15H2,1-3H3
InChIKeyMIBNXALEIUEQGD-UHFFFAOYSA-N
MW485.61 g/mol
LogP3.46
Rot. Bonds9

About 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one (PubChem CID 4735355) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one
PubChem CID4735355
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one
SMILESCCCOc1ccccc1C1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C25H31N3O5S/c1-4-13-33-19-8-6-5-7-18(19)21-20(22(29)24-16(2)26-17(3)34-24)23(30)25(31)28(21)10-9-27-11-14-32-15-12-27/h5-8,21,30H,4,9-15H2,1-3H3
InChIKeyMIBNXALEIUEQGD-UHFFFAOYSA-N
XLogP3.46
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one
CID 4735123
(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
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75795576
2-(2-chlorophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4735290
2-(3-butoxyphenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4735277
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 2951294
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-hexoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4735288
1-[2-(diethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(2-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735388
(2S)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 6996950
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(4-propoxyphenyl)-1-propyl-2H-pyrrol-5-one
CID 108636209
2-(4-bromophenyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4235230
(2R)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 1287619

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one (CID 4735355) is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one is CCCOc1ccccc1C1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCN1CCOCC1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is MIBNXALEIUEQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-4-13-33-19-8-6-5-7-18(19)21-20(22(29)24-16(2)26-17(3)34-24)23(30)25(31)28(21)10-9-27-11-14-32-15-12-27/h5-8,21,30H,4,9-15H2,1-3H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one?
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 485.61 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(2-propoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4735355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).