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

C19H16N2OS — CID 9398580

IUPAC1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H16N2OS/c22-18-10-5-11-21(18)16-9-4-8-15(12-16)17-13-23-19(20-17)14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2
InChIKeyOMTOSNSUWZWMRC-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.60
Rot. Bonds3

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

1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 9398580) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID9398580
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C19H16N2OS/c22-18-10-5-11-21(18)16-9-4-8-15(12-16)17-13-23-19(20-17)14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2
InChIKeyOMTOSNSUWZWMRC-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-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 17398125
N-(2-methylphenyl)-2-[4-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 9420953
1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 35618395
2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1034342
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 41190099
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
3-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzoic acid
CID 146091654
1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one
CID 169420701
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one (CID 9398580) is 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is OMTOSNSUWZWMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c22-18-10-5-11-21(18)16-9-4-8-15(12-16)17-13-23-19(20-17)14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2.
What are the key properties of 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
1-[3-(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-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 9398580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).