2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile

C15H12N4S — CID 165419826

IUPAC2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCc2cccc3ncsc23)n1
InChIInChI=1S/C15H12N4S/c1-10-5-6-11(7-16)15(19-10)17-8-12-3-2-4-13-14(12)20-9-18-13/h2-6,9H,8H2,1H3,(H,17,19)
InChIKeyZSDZERNLODECRC-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.48
Rot. Bonds3

About 2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile

2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile (PubChem CID 165419826) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile
PubChem CID165419826
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCc2cccc3ncsc23)n1
InChIInChI=1S/C15H12N4S/c1-10-5-6-11(7-16)15(19-10)17-8-12-3-2-4-13-14(12)20-9-18-13/h2-6,9H,8H2,1H3,(H,17,19)
InChIKeyZSDZERNLODECRC-UHFFFAOYSA-N
XLogP3.48
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzothiazole-7-carbonitrile
CID 69455274
6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 55207434
2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62539424
2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62227755
6-methyl-2-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 79749151
6-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbonitrile
CID 114181486
2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 63362749
6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873619
6-methyl-2-(2-methylsulfanylethylamino)pyridine-3-carbonitrile
CID 63964127
2-(3-fluoropropylamino)-6-methylpyridine-3-carbonitrile
CID 130504273
2-[2-(ethylamino)ethylamino]-6-methylpyridine-3-carbonitrile
CID 62664814
6-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carbonitrile
CID 104577151

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile (CID 165419826) is 2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(NCc2cccc3ncsc23)n1.
What is the InChIKey of 2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile?
The InChIKey is ZSDZERNLODECRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c1-10-5-6-11(7-16)15(19-10)17-8-12-3-2-4-13-14(12)20-9-18-13/h2-6,9H,8H2,1H3,(H,17,19).
What are the key properties of 2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile?
2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile has a molecular weight of 280.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-7-ylmethylamino)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 165419826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).