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

C24H29N3O5S — CID 2951435

IUPAC3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C24H29N3O5S/c1-15-23(33-16(2)25-15)21(28)19-20(17-7-4-5-8-18(17)31-3)27(24(30)22(19)29)10-6-9-26-11-13-32-14-12-26/h4-5,7-8,20,29H,6,9-14H2,1-3H3
InChIKeyGSZIMUQCYXFHEU-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.07
Rot. Bonds8

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

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one (PubChem CID 2951435) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
PubChem CID2951435
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCCN1CCOCC1
InChIInChI=1S/C24H29N3O5S/c1-15-23(33-16(2)25-15)21(28)19-20(17-7-4-5-8-18(17)31-3)27(24(30)22(19)29)10-6-9-26-11-13-32-14-12-26/h4-5,7-8,20,29H,6,9-14H2,1-3H3
InChIKeyGSZIMUQCYXFHEU-UHFFFAOYSA-N
XLogP3.07
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one (CID 2951435) is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one is COc1ccccc1C1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCCN1CCOCC1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?
The InChIKey is GSZIMUQCYXFHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-15-23(33-16(2)25-15)21(28)19-20(17-7-4-5-8-18(17)31-3)27(24(30)22(19)29)10-6-9-26-11-13-32-14-12-26/h4-5,7-8,20,29H,6,9-14H2,1-3H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one has a molecular weight of 471.58 g/mol, XLogP of 3.07, 8 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-2-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2951435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).