2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile

C15H15FN2O2S — CID 71909764

IUPAC2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile
SMILESCCOC(C)c1nc(COc2cccc(F)c2C#N)cs1
InChIInChI=1S/C15H15FN2O2S/c1-3-19-10(2)15-18-11(9-21-15)8-20-14-6-4-5-13(16)12(14)7-17/h4-6,9-10H,3,8H2,1-2H3
InChIKeyMMDXDJLISYKCCO-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.83
Rot. Bonds6

About 2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile

2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile (PubChem CID 71909764) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile
PubChem CID71909764
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile
SMILESCCOC(C)c1nc(COc2cccc(F)c2C#N)cs1
InChIInChI=1S/C15H15FN2O2S/c1-3-19-10(2)15-18-11(9-21-15)8-20-14-6-4-5-13(16)12(14)7-17/h4-6,9-10H,3,8H2,1-2H3
InChIKeyMMDXDJLISYKCCO-UHFFFAOYSA-N
XLogP3.83
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-Methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 4985772
(Z)-3-(2-ethoxyphenyl)-2-(4-(4-fluorophenyl)thiazol-2-yl)acrylonitrile
CID 7121301
3-[3-[Methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propoxy]benzonitrile
CID 71968720
3-(4-Methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 72160825
4-[(4-Fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 46083326
4-[(2-Methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
CID 2806222
(2E)-3-(2-((2-methyl-1,3-thiazol-4-yl)methoxy)phenyl)prop-2-enoic acid
CID 16227573
2-[(2-Thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzonitrile
CID 8098564
2-[[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]methoxy]benzonitrile
CID 9508486
(2Z)-3-[2-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 19584147
(Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile
CID 74766246
(Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enenitrile
CID 74766443

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile?
The IUPAC name of 2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile (CID 71909764) is 2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile?
The canonical SMILES for 2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile is CCOC(C)c1nc(COc2cccc(F)c2C#N)cs1.
What is the InChIKey of 2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile?
The InChIKey is MMDXDJLISYKCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-3-19-10(2)15-18-11(9-21-15)8-20-14-6-4-5-13(16)12(14)7-17/h4-6,9-10H,3,8H2,1-2H3.
What are the key properties of 2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile?
2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile has a molecular weight of 306.36 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methoxy]-6-fluorobenzonitrile is sourced from PubChem (CID 71909764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).