3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one

C21H25N3O4S — CID 75795538

IUPAC3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCCC2)o1
InChIInChI=1S/C21H25N3O4S/c1-12-6-7-15(28-12)17-16(18(25)20-13(2)22-14(3)29-20)19(26)21(27)24(17)11-10-23-8-4-5-9-23/h6-7,17,26H,4-5,8-11H2,1-3H3
InChIKeySYQSJDAVWPHKNK-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.34
Rot. Bonds6

About 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one

3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (PubChem CID 75795538) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
PubChem CID75795538
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCCC2)o1
InChIInChI=1S/C21H25N3O4S/c1-12-6-7-15(28-12)17-16(18(25)20-13(2)22-14(3)29-20)19(26)21(27)24(17)11-10-23-8-4-5-9-23/h6-7,17,26H,4-5,8-11H2,1-3H3
InChIKeySYQSJDAVWPHKNK-UHFFFAOYSA-N
XLogP3.34
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.34
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-1-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 75795540
1-[3-(diethylamino)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 664481
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75795590
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
(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-(3-propan-2-yloxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75795506
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
(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-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 2951294
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658468
4-hydroxy-2-(5-methylfuran-2-yl)-3-(1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 4863883
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (CID 75795538) is 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one is Cc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCCC2)o1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
The InChIKey is SYQSJDAVWPHKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-12-6-7-15(28-12)17-16(18(25)20-13(2)22-14(3)29-20)19(26)21(27)24(17)11-10-23-8-4-5-9-23/h6-7,17,26H,4-5,8-11H2,1-3H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one?
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one has a molecular weight of 415.52 g/mol, XLogP of 3.34, 6 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-(5-methylfuran-2-yl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 75795538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).