3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one

C26H27N3O4S — CID 108693983

IUPAC3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)C2c2cccc(OCC(C)C)c2)s1
InChIInChI=1S/C26H27N3O4S/c1-15(2)14-33-20-10-7-8-18(12-20)22-21(23(30)25-16(3)28-17(4)34-25)24(31)26(32)29(22)13-19-9-5-6-11-27-19/h5-12,15,22,31H,13-14H2,1-4H3
InChIKeyIHUXJLMBQMAMPC-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.97
Rot. Bonds8

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

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 108693983) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID108693983
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)C2c2cccc(OCC(C)C)c2)s1
InChIInChI=1S/C26H27N3O4S/c1-15(2)14-33-20-10-7-8-18(12-20)22-21(23(30)25-16(3)28-17(4)34-25)24(31)26(32)29(22)13-19-9-5-6-11-27-19/h5-12,15,22,31H,13-14H2,1-4H3
InChIKeyIHUXJLMBQMAMPC-UHFFFAOYSA-N
XLogP4.97
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-2-yl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108627357
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
CID 108699118
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108596002
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]-2H-pyrrol-5-one
CID 108709199
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-pentoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 4735434
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(3-hydroxypropoxy)phenyl]-1-propyl-2H-pyrrol-5-one
CID 108665029
1-[3-(dimethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
CID 4735017
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-propan-2-yloxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75795506
2-[(2S)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 7448059
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108618489
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-ethoxyphenyl)-1-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108675966
[3-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2H-pyrrol-2-yl]phenyl] acetate
CID 108611280

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one (CID 108693983) is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one is Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccccn3)C2c2cccc(OCC(C)C)c2)s1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is IHUXJLMBQMAMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-15(2)14-33-20-10-7-8-18(12-20)22-21(23(30)25-16(3)28-17(4)34-25)24(31)26(32)29(22)13-19-9-5-6-11-27-19/h5-12,15,22,31H,13-14H2,1-4H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one?
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 477.59 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108693983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).