2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one

C10H8FNOS — CID 130501209

IUPAC2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one
SMILESO=C1CSC(Cc2ccc(F)cc2)=N1
InChIInChI=1S/C10H8FNOS/c11-8-3-1-7(2-4-8)5-10-12-9(13)6-14-10/h1-4H,5-6H2
InChIKeyKVOYQMHFWIVLCE-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.04
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one

2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one (PubChem CID 130501209) has the molecular formula C10H8FNOS and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one
PubChem CID130501209
Molecular FormulaC10H8FNOS
Molecular Weight209.25 g/mol
Exact Mass209.03
IUPAC Name2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one
SMILESO=C1CSC(Cc2ccc(F)cc2)=N1
InChIInChI=1S/C10H8FNOS/c11-8-3-1-7(2-4-8)5-10-12-9(13)6-14-10/h1-4H,5-6H2
InChIKeyKVOYQMHFWIVLCE-UHFFFAOYSA-N
XLogP2.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiazole, 4,5-dihydro-2-(4-fluorophenyl)-
CID 3024538
2-Phenylthiazol-4-one
CID 2748720
2-Benzyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-4-ol
CID 3363949
2-{5-[(4-Fluorophenyl)methylene]-4-oxo-1,3-thiazolin-2-yl}ethanenitrile
CID 8010364
2-[2-(4-Fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazole
CID 101184938
2-Phenylthiazoline-4,5-dione
CID 2748808
2-Phenyl-5,6-dihydro-1,3-thiazin-4-one
CID 129770645
5-Methyl-2-phenyl-1,3-thiazol-4-one
CID 132563734
2-[1-(4-Fluorophenyl)ethylsulfanyl]propanamide
CID 47160196
2-[1-(2-Fluorophenyl)ethylsulfanyl]propanamide
CID 47321718
7-(4-Fluorophenyl)thiopyrano[2,3-d][1,3]thiazol-2-one
CID 155813683
2-[(3,5-Difluorophenyl)methyl]-4,5-dihydro-1,3-thiazole
CID 54193914

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one (CID 130501209) is 2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one is O=C1CSC(Cc2ccc(F)cc2)=N1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one?
The InChIKey is KVOYQMHFWIVLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNOS/c11-8-3-1-7(2-4-8)5-10-12-9(13)6-14-10/h1-4H,5-6H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one?
2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one has a molecular weight of 209.25 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-one is sourced from PubChem (CID 130501209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).