2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone

C14H14FNO2S — CID 115789396

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2nc(C)c(C)s2)cc1F
InChIInChI=1S/C14H14FNO2S/c1-8-9(2)19-14(16-8)7-12(17)10-4-5-13(18-3)11(15)6-10/h4-6H,7H2,1-3H3
InChIKeyDBPBGABBDZZCMY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.33
Rot. Bonds4

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 115789396) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID115789396
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2nc(C)c(C)s2)cc1F
InChIInChI=1S/C14H14FNO2S/c1-8-9(2)19-14(16-8)7-12(17)10-4-5-13(18-3)11(15)6-10/h4-6H,7H2,1-3H3
InChIKeyDBPBGABBDZZCMY-UHFFFAOYSA-N
XLogP3.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 115789520
1-(3-bromo-4-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 82810356
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxy-5-methylphenyl)ethanone
CID 115789523
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115789519
2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64560034
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
1-(4-amino-3-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116582034
2-(2-amino-1,3-thiazol-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 116575667
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
1-[2-(aminomethyl)-4-pyridinyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116601831

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 115789396) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cc2nc(C)c(C)s2)cc1F.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is DBPBGABBDZZCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-8-9(2)19-14(16-8)7-12(17)10-4-5-13(18-3)11(15)6-10/h4-6H,7H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 279.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 115789396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).