5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine

C13H11N3S — CID 79818659

IUPAC5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine
SMILESNc1ccc(Cc2nc3ccccc3s2)cn1
InChIInChI=1S/C13H11N3S/c14-12-6-5-9(8-15-12)7-13-16-10-3-1-2-4-11(10)17-13/h1-6,8H,7H2,(H2,14,15)
InChIKeyDBBKAYACNAEGSN-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.86
Rot. Bonds2

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

5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine (PubChem CID 79818659) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine
PubChem CID79818659
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine
SMILESNc1ccc(Cc2nc3ccccc3s2)cn1
InChIInChI=1S/C13H11N3S/c14-12-6-5-9(8-15-12)7-13-16-10-3-1-2-4-11(10)17-13/h1-6,8H,7H2,(H2,14,15)
InChIKeyDBBKAYACNAEGSN-UHFFFAOYSA-N
XLogP2.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzothiazol-2-ylmethyl)-2-ethylaniline
CID 81287573
6-(1,3-benzothiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 155811809
2-(1,3-benzothiazol-2-ylmethyl)aniline
CID 62534023
3-(1,3-benzothiazol-2-ylmethyl)-5-methylaniline
CID 107579603
2-(thiophen-3-ylmethyl)-1,3-benzothiazole
CID 102192956
1-[4-(1,3-benzothiazol-2-ylmethyl)phenoxy]butan-2-amine
CID 71198623
2-ethyl-1,3-benzothiazole
CID 123878265
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 9101289
2-(naphthalen-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 66203826
2-[(4-chloropyrimidin-5-yl)methyl]-1,3-benzothiazole
CID 105371357
3-(1,3-benzothiazol-2-ylmethyl)-5-fluorophenol
CID 83129856
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine (CID 79818659) is 5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine is Nc1ccc(Cc2nc3ccccc3s2)cn1.
What is the InChIKey of 5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine?
The InChIKey is DBBKAYACNAEGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c14-12-6-5-9(8-15-12)7-13-16-10-3-1-2-4-11(10)17-13/h1-6,8H,7H2,(H2,14,15).
What are the key properties of 5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine?
5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine has a molecular weight of 241.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 79818659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).