3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one

C20H18N2OS — CID 11313629

IUPAC3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESCC1CC(c2ccccc2)(c2nccs2)N(c2ccccc2)C1=O
InChIInChI=1S/C20H18N2OS/c1-15-14-20(19-21-12-13-24-19,16-8-4-2-5-9-16)22(18(15)23)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3
InChIKeyXCEAXKZPYCDDCK-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.46
Rot. Bonds3

About 3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one

3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 11313629) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID11313629
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESCC1CC(c2ccccc2)(c2nccs2)N(c2ccccc2)C1=O
InChIInChI=1S/C20H18N2OS/c1-15-14-20(19-21-12-13-24-19,16-8-4-2-5-9-16)22(18(15)23)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3
InChIKeyXCEAXKZPYCDDCK-UHFFFAOYSA-N
XLogP4.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(1,3-thiazol-2-yl)cyclopentane-1-carboxylic acid
CID 130948762
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CID 101116599
N,2,3-trimethyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
CID 130877388
N,2,4,4-tetramethyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 106663582
(2S,6S,8R,12S)-13-methyl-1,4,7,10-tetraphenyl-4,10-diaza-13-azoniatetracyclo[5.5.1.02,6.08,12]tridecane-3,5,9,11-tetrone
CID 9499858
1-methyl-3-(1,3-thiazol-2-yl)azetidin-3-ol
CID 67481659
3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
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CID 105402369
(3aR,6aS)-5-phenyl-2-(1,3-thiazol-2-ylmethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124520088
4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one
CID 69117828
2-(1-benzhydrylcyclobutyl)-1,3-thiazole
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3-ethyl-4-methyl-1,4-diphenylazetidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one (CID 11313629) is 3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one is CC1CC(c2ccccc2)(c2nccs2)N(c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is XCEAXKZPYCDDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-15-14-20(19-21-12-13-24-19,16-8-4-2-5-9-16)22(18(15)23)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3.
What are the key properties of 3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one?
3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 334.44 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-diphenyl-5-(1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 11313629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).