2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile

C11H7FN2OS — CID 78952690

IUPAC2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2cscn2)cc1F
InChIInChI=1S/C11H7FN2OS/c12-11-3-10(2-1-8(11)4-13)15-5-9-6-16-7-14-9/h1-3,6-7H,5H2
InChIKeyXLRCXORCOJPEKJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.73
Rot. Bonds3

About 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile

2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile (PubChem CID 78952690) has the molecular formula C11H7FN2OS and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile
PubChem CID78952690
Molecular FormulaC11H7FN2OS
Molecular Weight234.26 g/mol
Exact Mass234.03
IUPAC Name2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile
SMILESN#Cc1ccc(OCc2cscn2)cc1F
InChIInChI=1S/C11H7FN2OS/c12-11-3-10(2-1-8(11)4-13)15-5-9-6-16-7-14-9/h1-3,6-7H,5H2
InChIKeyXLRCXORCOJPEKJ-UHFFFAOYSA-N
XLogP2.73
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[2-(1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 115367543
4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
CID 78952814
2-fluoro-4-(4-methoxybutoxy)benzonitrile
CID 115777010
4-[(2,3-difluorophenyl)methoxy]-2-fluorobenzonitrile
CID 78952689
2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 78952632
2-fluoro-4-(3-hydroxypropoxy)benzonitrile
CID 78961235
4-[(2,5-dimethylphenyl)methoxy]-2-fluorobenzonitrile
CID 78952741
4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole
CID 54942438
2-fluoro-4-[(2-formylphenyl)methoxy]benzonitrile
CID 123347008
2-[2-[(4-cyano-3-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460804
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile
CID 103174663
2-fluoro-4-(4-phenylbutoxy)benzonitrile
CID 114335058

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile?
The IUPAC name of 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile (CID 78952690) is 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile?
The canonical SMILES for 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile is N#Cc1ccc(OCc2cscn2)cc1F.
What is the InChIKey of 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile?
The InChIKey is XLRCXORCOJPEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2OS/c12-11-3-10(2-1-8(11)4-13)15-5-9-6-16-7-14-9/h1-3,6-7H,5H2.
What are the key properties of 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile?
2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile is sourced from PubChem (CID 78952690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).