3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile

C14H9N3OS — CID 118902934

IUPAC3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile
SMILESCOc1ccc2nc(-c3cnccc3C#N)sc2c1
InChIInChI=1S/C14H9N3OS/c1-18-10-2-3-12-13(6-10)19-14(17-12)11-8-16-5-4-9(11)7-15/h2-6,8H,1H3
InChIKeyJFDHYZWYORPCKH-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.24
Rot. Bonds2

About 3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile

3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile (PubChem CID 118902934) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile
PubChem CID118902934
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile
SMILESCOc1ccc2nc(-c3cnccc3C#N)sc2c1
InChIInChI=1S/C14H9N3OS/c1-18-10-2-3-12-13(6-10)19-14(17-12)11-8-16-5-4-9(11)7-15/h2-6,8H,1H3
InChIKeyJFDHYZWYORPCKH-UHFFFAOYSA-N
XLogP3.24
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide
CID 118903042
4-bromo-2-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79512202
4-iodo-2-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79512098
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069
4-bromo-3-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 115296481
4-fluoro-3-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79511099
3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136751643
N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine
CID 44523387
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile (CID 118902934) is 3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile is COc1ccc2nc(-c3cnccc3C#N)sc2c1.
What is the InChIKey of 3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile?
The InChIKey is JFDHYZWYORPCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c1-18-10-2-3-12-13(6-10)19-14(17-12)11-8-16-5-4-9(11)7-15/h2-6,8H,1H3.
What are the key properties of 3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile?
3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile has a molecular weight of 267.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 118902934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).