5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine

C13H11N3S — CID 155505909

IUPAC5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
SMILESCc1nc2cc(-c3ccc(N)nc3)ccc2s1
InChIInChI=1S/C13H11N3S/c1-8-16-11-6-9(2-4-12(11)17-8)10-3-5-13(14)15-7-10/h2-7H,1H3,(H2,14,15)
InChIKeyJHBOVAUMDYGAPK-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.25
Rot. Bonds1

About 5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine

5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine (PubChem CID 155505909) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
PubChem CID155505909
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
SMILESCc1nc2cc(-c3ccc(N)nc3)ccc2s1
InChIInChI=1S/C13H11N3S/c1-8-16-11-6-9(2-4-12(11)17-8)10-3-5-13(14)15-7-10/h2-7H,1H3,(H2,14,15)
InChIKeyJHBOVAUMDYGAPK-UHFFFAOYSA-N
XLogP3.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155910195
4-(2-methyl-1,3-benzothiazol-5-yl)aniline
CID 59283005
2-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-4,6-diamine
CID 21101301
6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine
CID 155910091
2-methyl-5-pyridin-3-yl-1,3-benzothiazole
CID 24879647
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol
CID 155918906
4-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 155495503
2-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1,3-benzothiazole
CID 155914050
5-(5-methyl-1-benzothiophen-2-yl)pyridin-2-amine
CID 115113685
1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol
CID 155495690
2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine
CID 155912615

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine?
The IUPAC name of 5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine (CID 155505909) is 5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine?
The canonical SMILES for 5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine is Cc1nc2cc(-c3ccc(N)nc3)ccc2s1.
What is the InChIKey of 5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine?
The InChIKey is JHBOVAUMDYGAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-8-16-11-6-9(2-4-12(11)17-8)10-3-5-13(14)15-7-10/h2-7H,1H3,(H2,14,15).
What are the key properties of 5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine?
5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine has a molecular weight of 241.32 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 155505909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).