(4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one

C14H14N2OS — CID 97282055

IUPAC(4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2ccccc2)CN1Cc1cscn1
InChIInChI=1S/C14H14N2OS/c17-14-6-12(11-4-2-1-3-5-11)7-16(14)8-13-9-18-10-15-13/h1-5,9-10,12H,6-8H2/t12-/m0/s1
InChIKeySMDJAHIGQDDIJZ-LBPRGKRZSA-N
MW258.35 g/mol
LogP2.66
Rot. Bonds3

About (4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one

(4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one (PubChem CID 97282055) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is (4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
PubChem CID97282055
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name(4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2ccccc2)CN1Cc1cscn1
InChIInChI=1S/C14H14N2OS/c17-14-6-12(11-4-2-1-3-5-11)7-16(14)8-13-9-18-10-15-13/h1-5,9-10,12H,6-8H2/t12-/m0/s1
InChIKeySMDJAHIGQDDIJZ-LBPRGKRZSA-N
XLogP2.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one
CID 67327221
[5-oxo-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676693
1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 155799488
(4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-2-one
CID 97281019
4-phenyl-1-propylpyrrolidin-2-one
CID 13362249
4-phenyl-2-(1,3-thiazol-4-ylmethyl)cyclohexan-1-one
CID 79417686
1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-4-phenylpyrrolidin-2-one
CID 15952658
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
3-[(3S)-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]benzoic acid
CID 97196675
N-[3-[[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]-1H-1,2,4-triazol-5-yl]nitramide
CID 135850808
1-[3-phenyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]ethanone
CID 110109188
1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one
CID 67113851

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one (CID 97282055) is (4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one is O=C1C[C@H](c2ccccc2)CN1Cc1cscn1.
What is the InChIKey of (4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is SMDJAHIGQDDIJZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-14-6-12(11-4-2-1-3-5-11)7-16(14)8-13-9-18-10-15-13/h1-5,9-10,12H,6-8H2/t12-/m0/s1.
What are the key properties of (4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one?
(4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 258.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 97282055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).