4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one

C10H8FNOS — CID 170923840

IUPAC4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one
SMILESCC1SC(=O)N=C1c1ccc(F)cc1
InChIInChI=1S/C10H8FNOS/c1-6-9(12-10(13)14-6)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKeyWBOSDVQTCJCLCI-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.87
Rot. Bonds1

About 4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one

4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one (PubChem CID 170923840) has the molecular formula C10H8FNOS and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one
PubChem CID170923840
Molecular FormulaC10H8FNOS
Molecular Weight209.25 g/mol
Exact Mass209.03
IUPAC Name4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one
SMILESCC1SC(=O)N=C1c1ccc(F)cc1
InChIInChI=1S/C10H8FNOS/c1-6-9(12-10(13)14-6)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKeyWBOSDVQTCJCLCI-UHFFFAOYSA-N
XLogP2.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one (CID 170923840) is 4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one is CC1SC(=O)N=C1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one?
The InChIKey is WBOSDVQTCJCLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNOS/c1-6-9(12-10(13)14-6)7-2-4-8(11)5-3-7/h2-6H,1H3.
What are the key properties of 4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one?
4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one has a molecular weight of 209.25 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-5H-1,3-thiazol-2-one is sourced from PubChem (CID 170923840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).