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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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).