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

C13H11N3S — CID 42281689

IUPACN-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
SMILESc1ccc(CNc2nc3ccccc3s2)nc1
InChIInChI=1S/C13H11N3S/c1-2-7-12-11(6-1)16-13(17-12)15-9-10-5-3-4-8-14-10/h1-8H,9H2,(H,15,16)
InChIKeyMNMLDERTJCOFJS-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.30
Rot. Bonds3

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

N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 42281689) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID42281689
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC NameN-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
SMILESc1ccc(CNc2nc3ccccc3s2)nc1
InChIInChI=1S/C13H11N3S/c1-2-7-12-11(6-1)16-13(17-12)15-9-10-5-3-4-8-14-10/h1-8H,9H2,(H,15,16)
InChIKeyMNMLDERTJCOFJS-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281697
N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 47283149
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N-(1,3-benzothiazol-2-yl)-2-(pyridin-2-ylmethylamino)acetamide
CID 17066509
N'-(1,3-benzothiazol-2-yl)-N-pyridin-2-ylethane-1,2-diamine
CID 37105021
N-[(4-aminopyrimidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 133367223
N'-(1,3-benzothiazol-2-yl)-N-pyrimidin-2-ylpropane-1,3-diamine
CID 47370704
N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 63239425
N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 32680270
N-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 25239704
N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 142733943
N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 62503193

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine (CID 42281689) is N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine is c1ccc(CNc2nc3ccccc3s2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is MNMLDERTJCOFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-7-12-11(6-1)16-13(17-12)15-9-10-5-3-4-8-14-10/h1-8H,9H2,(H,15,16).
What are the key properties of N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine?
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 241.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 42281689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).