2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one

C10H8FNOS — CID 130501299

IUPAC2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one
SMILESCc1ccc(C2=NC(=O)CS2)c(F)c1
InChIInChI=1S/C10H8FNOS/c1-6-2-3-7(8(11)4-6)10-12-9(13)5-14-10/h2-4H,5H2,1H3
InChIKeyNRQOEGXYDKCPIW-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.15
Rot. Bonds1

About 2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one

2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one (PubChem CID 130501299) has the molecular formula C10H8FNOS and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one
PubChem CID130501299
Molecular FormulaC10H8FNOS
Molecular Weight209.24 g/mol
Exact Mass209.03
IUPAC Name2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one
SMILESCc1ccc(C2=NC(=O)CS2)c(F)c1
InChIInChI=1S/C10H8FNOS/c1-6-2-3-7(8(11)4-6)10-12-9(13)5-14-10/h2-4H,5H2,1H3
InChIKeyNRQOEGXYDKCPIW-UHFFFAOYSA-N
XLogP2.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one (CID 130501299) is 2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one is Cc1ccc(C2=NC(=O)CS2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one?
The InChIKey is NRQOEGXYDKCPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNOS/c1-6-2-3-7(8(11)4-6)10-12-9(13)5-14-10/h2-4H,5H2,1H3.
What are the key properties of 2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one?
2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one has a molecular weight of 209.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-one is sourced from PubChem (CID 130501299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).