1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one

C19H16N2OS — CID 17398125

IUPAC1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H16N2OS/c22-18-7-4-12-21(18)16-10-8-14(9-11-16)17-13-23-19(20-17)15-5-2-1-3-6-15/h1-3,5-6,8-11,13H,4,7,12H2
InChIKeyMWNNFWKKMOCTFZ-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.60
Rot. Bonds3

About 1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one

1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 17398125) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID17398125
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H16N2OS/c22-18-7-4-12-21(18)16-10-8-14(9-11-16)17-13-23-19(20-17)15-5-2-1-3-6-15/h1-3,5-6,8-11,13H,4,7,12H2
InChIKeyMWNNFWKKMOCTFZ-UHFFFAOYSA-N
XLogP4.60
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 9398580
1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 35618395
1-[4-[2-(propylamino)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 9420097
1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one
CID 30585345
1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 94819626
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(2-morpholin-3-yl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 154746717
3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid
CID 146091654
11-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 122286495
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 35545507
1-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrrolidin-2-one
CID 10974504
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 36597806

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one (CID 17398125) is 1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(-c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is MWNNFWKKMOCTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c22-18-7-4-12-21(18)16-10-8-14(9-11-16)17-13-23-19(20-17)15-5-2-1-3-6-15/h1-3,5-6,8-11,13H,4,7,12H2.
What are the key properties of 1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 320.42 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 17398125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).