2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile

C15H10N2OS — CID 2714599

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccccc1OCc1nc2ccccc2s1
InChIInChI=1S/C15H10N2OS/c16-9-11-5-1-3-7-13(11)18-10-15-17-12-6-2-4-8-14(12)19-15/h1-8H,10H2
InChIKeyFEMFFQPWMIQMBB-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.75
Rot. Bonds3

About 2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile

2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile (PubChem CID 2714599) has the molecular formula C15H10N2OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile
PubChem CID2714599
Molecular FormulaC15H10N2OS
Molecular Weight266.33 g/mol
Exact Mass266.05
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile
SMILESN#Cc1ccccc1OCc1nc2ccccc2s1
InChIInChI=1S/C15H10N2OS/c16-9-11-5-1-3-7-13(11)18-10-15-17-12-6-2-4-8-14(12)19-15/h1-8H,10H2
InChIKeyFEMFFQPWMIQMBB-UHFFFAOYSA-N
XLogP3.75
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol
CID 107713086
4-(1,3-benzothiazol-2-ylmethoxy)-3,5-dimethylbenzonitrile
CID 115649817
(1S)-1-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]propan-1-amine
CID 104630959
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7506157
2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde
CID 104631097
4-(1,3-benzothiazol-2-ylmethoxy)-3-bromo-5-ethoxybenzonitrile
CID 17434027
3-amino-4-(1,3-benzothiazol-2-ylmethoxy)benzoic acid
CID 104631513
4-(1,3-benzothiazol-2-ylmethoxy)-3-fluorobenzoic acid
CID 107689778
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-benzothiazole
CID 104631366
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide
CID 86858145
2-[[4-(1,3-benzothiazol-2-yl)-2-bromophenoxy]methyl]benzonitrile
CID 126202262
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)-3-methylbutanamide
CID 55940464

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile (CID 2714599) is 2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile is N#Cc1ccccc1OCc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile?
The InChIKey is FEMFFQPWMIQMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS/c16-9-11-5-1-3-7-13(11)18-10-15-17-12-6-2-4-8-14(12)19-15/h1-8H,10H2.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile?
2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile has a molecular weight of 266.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)benzonitrile is sourced from PubChem (CID 2714599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).