3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile

C13H10F2N2OS — CID 81282980

IUPAC3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
SMILESCc1ncsc1CCOc1c(F)cc(C#N)cc1F
InChIInChI=1S/C13H10F2N2OS/c1-8-12(19-7-17-8)2-3-18-13-10(14)4-9(6-16)5-11(13)15/h4-5,7H,2-3H2,1H3
InChIKeyLQVBQFPOYMQWRZ-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.22
Rot. Bonds4

About 3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile

3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile (PubChem CID 81282980) has the molecular formula C13H10F2N2OS and a molecular weight of 280.30 g/mol. Its IUPAC name is 3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
PubChem CID81282980
Molecular FormulaC13H10F2N2OS
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
SMILESCc1ncsc1CCOc1c(F)cc(C#N)cc1F
InChIInChI=1S/C13H10F2N2OS/c1-8-12(19-7-17-8)2-3-18-13-10(14)4-9(6-16)5-11(13)15/h4-5,7H,2-3H2,1H3
InChIKeyLQVBQFPOYMQWRZ-UHFFFAOYSA-N
XLogP3.22
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 43518282
4-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 63094778
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
2-chloro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 62946834
5-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-3-carbonitrile
CID 54860959
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
4-but-3-ynoxy-3,5-difluorobenzonitrile
CID 106794959
2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 104717167
1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 62071710
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride
CID 82916083

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile?
The IUPAC name of 3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile (CID 81282980) is 3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile.
What is the SMILES notation for 3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile?
The canonical SMILES for 3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile is Cc1ncsc1CCOc1c(F)cc(C#N)cc1F.
What is the InChIKey of 3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile?
The InChIKey is LQVBQFPOYMQWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2OS/c1-8-12(19-7-17-8)2-3-18-13-10(14)4-9(6-16)5-11(13)15/h4-5,7H,2-3H2,1H3.
What are the key properties of 3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile?
3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile has a molecular weight of 280.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile is sourced from PubChem (CID 81282980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).