3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one

C16H12FNOS2 — CID 59681844

IUPAC3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one
SMILESCSc1ccc(-c2csc(=O)n2-c2cccc(F)c2)cc1
InChIInChI=1S/C16H12FNOS2/c1-20-14-7-5-11(6-8-14)15-10-21-16(19)18(15)13-4-2-3-12(17)9-13/h2-10H,1H3
InChIKeyGDJASVYMWSXZRP-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.43
Rot. Bonds3

About 3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one

3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one (PubChem CID 59681844) has the molecular formula C16H12FNOS2 and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one
PubChem CID59681844
Molecular FormulaC16H12FNOS2
Molecular Weight317.41 g/mol
Exact Mass317.03
IUPAC Name3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one
SMILESCSc1ccc(-c2csc(=O)n2-c2cccc(F)c2)cc1
InChIInChI=1S/C16H12FNOS2/c1-20-14-7-5-11(6-8-14)15-10-21-16(19)18(15)13-4-2-3-12(17)9-13/h2-10H,1H3
InChIKeyGDJASVYMWSXZRP-UHFFFAOYSA-N
XLogP4.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 788759
3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3H-oxazol-2-one
CID 9905676
3-(4-Fluorophenyl)-2-(4-(methylsulfonyl)phenyl)thiazolidin-4-one
CID 10405693
3-(2-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3H-oxazol-2-one
CID 10688075
N1-[4-(1,3-dithiolan-2-yl)phenyl]-2-[(4-fluorophenyl)thio]acetamide
CID 2819053
1-[4-(4-Fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 1121259
2,3-Bis(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 134130308
2,5-Pyrrolidinedione, 3-[(4-methylphenyl)thio]-1-phenyl-
CID 2841384
1-(2,4-Difluorophenyl)-3-[(4-methylphenyl)sulfanyl]pyrrolidine-2,5-dione
CID 3745000
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 738707
2-[(4-methylphenyl)thio]-N-[3-(methylthio)phenyl]acetamide
CID 738709
Cambridge id 6716319
CID 807010

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one (CID 59681844) is 3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one is CSc1ccc(-c2csc(=O)n2-c2cccc(F)c2)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one?
The InChIKey is GDJASVYMWSXZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS2/c1-20-14-7-5-11(6-8-14)15-10-21-16(19)18(15)13-4-2-3-12(17)9-13/h2-10H,1H3.
What are the key properties of 3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one?
3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one has a molecular weight of 317.41 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazol-2-one is sourced from PubChem (CID 59681844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).