2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile

C11H6ClFN2OS — CID 79764862

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCc1cnc(Cl)s1
InChIInChI=1S/C11H6ClFN2OS/c12-11-15-5-7(17-11)6-16-10-3-1-2-9(13)8(10)4-14/h1-3,5H,6H2
InChIKeyKIZDQKWWHCCQAE-UHFFFAOYSA-N
MW268.70 g/mol
LogP3.39
Rot. Bonds3

About 2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile

2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile (PubChem CID 79764862) has the molecular formula C11H6ClFN2OS and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile
PubChem CID79764862
Molecular FormulaC11H6ClFN2OS
Molecular Weight268.70 g/mol
Exact Mass267.99
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCc1cnc(Cl)s1
InChIInChI=1S/C11H6ClFN2OS/c12-11-15-5-7(17-11)6-16-10-3-1-2-9(13)8(10)4-14/h1-3,5H,6H2
InChIKeyKIZDQKWWHCCQAE-UHFFFAOYSA-N
XLogP3.39
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile 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

2-chloro-5-[(2,4-difluorophenoxy)methyl]-1,3-thiazole
CID 79764988
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile
CID 113411841
2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile
CID 115766284
5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole
CID 81496091
2-[(5-chloro-2-pyridinyl)oxy]-6-fluorobenzonitrile
CID 66234121
2-[(6-chloro-3-pyridinyl)oxy]-6-fluorobenzonitrile
CID 133384052
2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 18525684
2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile
CID 43609088
2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile
CID 69356263
2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79765645
2-but-3-ynoxy-6-fluorobenzonitrile
CID 63656850

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile (CID 79764862) is 2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile is N#Cc1c(F)cccc1OCc1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile?
The InChIKey is KIZDQKWWHCCQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2OS/c12-11-15-5-7(17-11)6-16-10-3-1-2-9(13)8(10)4-14/h1-3,5H,6H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile?
2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile has a molecular weight of 268.70 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methoxy]-6-fluorobenzonitrile is sourced from PubChem (CID 79764862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).