3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

C20H17N3O4S — CID 4735490

IUPAC3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)C2c2cccnc2)s1
InChIInChI=1S/C20H17N3O4S/c1-11-19(28-12(2)22-11)17(24)15-16(13-5-3-7-21-9-13)23(20(26)18(15)25)10-14-6-4-8-27-14/h3-9,16,25H,10H2,1-2H3
InChIKeyUAFMOCINILLFBA-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.53
Rot. Bonds5

About 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 4735490) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID4735490
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)C2c2cccnc2)s1
InChIInChI=1S/C20H17N3O4S/c1-11-19(28-12(2)22-11)17(24)15-16(13-5-3-7-21-9-13)23(20(26)18(15)25)10-14-6-4-8-27-14/h3-9,16,25H,10H2,1-2H3
InChIKeyUAFMOCINILLFBA-UHFFFAOYSA-N
XLogP3.53
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 4735470
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 4735505
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(furan-2-yl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 4735530
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 4735521
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631893
methyl 4-[3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate
CID 4735503
3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630788
1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 3727638
(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)-2-(4-ethylphenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 4735421
(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
(2S)-3-(1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 1305469

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (CID 4735490) is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)C2c2cccnc2)s1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is UAFMOCINILLFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-11-19(28-12(2)22-11)17(24)15-16(13-5-3-7-21-9-13)23(20(26)18(15)25)10-14-6-4-8-27-14/h3-9,16,25H,10H2,1-2H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 395.44 g/mol, XLogP of 3.53, 5 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)-1-(furan-2-ylmethyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 4735490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).