6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine

C15H15N3S — CID 79818277

IUPAC6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(Cc2nc3ccccc3s2)n1
InChIInChI=1S/C15H15N3S/c1-2-16-14-9-5-6-11(17-14)10-15-18-12-7-3-4-8-13(12)19-15/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyVFRDKEGTYBRSNE-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.71
Rot. Bonds4

About 6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine

6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine (PubChem CID 79818277) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine
PubChem CID79818277
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(Cc2nc3ccccc3s2)n1
InChIInChI=1S/C15H15N3S/c1-2-16-14-9-5-6-11(17-14)10-15-18-12-7-3-4-8-13(12)19-15/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyVFRDKEGTYBRSNE-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 79819322
perchloric acid;2-propyl-1,3-benzothiazole
CID 158890819
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 106887601
[2-(1,3-benzothiazol-2-ylmethyl)-4-pyridinyl]hydrazine
CID 102825319
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
1-(1,3-benzothiazol-2-yl)-2-methylbutan-2-ol
CID 79819076
2-ethyl-1,3-benzothiazole
CID 123878265
2-prop-2-ynyl-1,3-benzothiazole
CID 79818504
1-(1,3-benzothiazol-2-yl)-N-methyl-3-pyridin-2-ylpropan-2-amine
CID 79818939
2-(1,3-benzothiazol-2-ylmethyl)aniline
CID 62534023

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine?
The IUPAC name of 6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine (CID 79818277) is 6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine is CCNc1cccc(Cc2nc3ccccc3s2)n1.
What is the InChIKey of 6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine?
The InChIKey is VFRDKEGTYBRSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-16-14-9-5-6-11(17-14)10-15-18-12-7-3-4-8-13(12)19-15/h3-9H,2,10H2,1H3,(H,16,17).
What are the key properties of 6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine?
6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine has a molecular weight of 269.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 79818277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).