1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone

C13H12FNO2S — CID 103695347

IUPAC1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2nc(C)cs2)cc1F
InChIInChI=1S/C13H12FNO2S/c1-8-7-18-13(15-8)6-17-10-3-4-11(9(2)16)12(14)5-10/h3-5,7H,6H2,1-2H3
InChIKeyFHNQARYXLLGVEC-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.37
Rot. Bonds4

About 1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone

1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone (PubChem CID 103695347) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone
PubChem CID103695347
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2nc(C)cs2)cc1F
InChIInChI=1S/C13H12FNO2S/c1-8-7-18-13(15-8)6-17-10-3-4-11(9(2)16)12(14)5-10/h3-5,7H,6H2,1-2H3
InChIKeyFHNQARYXLLGVEC-UHFFFAOYSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-Methylphenoxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 4980640
3-((2-Methyl-1,3-thiazol-4-yl)methoxy)benzoic acid
CID 7131859
2-Methyl-1-[2-methyl-4-[(4-phenyl-1,3-thiazol-2-yl)methoxy]phenyl]prop-2-en-1-one
CID 57396546
Ethyl 2-((4-(1,3-dithiolan-2-yl)phenoxy)methyl)thiazole-4-carboxylate
CID 2743916
2,6-Difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 46236891
4-((2-Methyl-1,3-thiazol-4-yl)methoxy)benzaldehyde
CID 4962841
3-(4-Methoxyphenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]chromen-4-one
CID 75398733
[4-[2-[3-[2-(2-Methyl-1,3-thiazol-4-yl)ethynyl]phenoxy]ethoxy]phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 137645603
tert-butyl 4-[4-[(4-butanoylphenoxy)methyl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 156017829
1-[4-[[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone
CID 8300008
2-Propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(2-methyl-4-thiazolyl)-
CID 489205
2-[(2-Methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 4962844

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone (CID 103695347) is 1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2nc(C)cs2)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone?
The InChIKey is FHNQARYXLLGVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-8-7-18-13(15-8)6-17-10-3-4-11(9(2)16)12(14)5-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone?
1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone has a molecular weight of 265.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 103695347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).