6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine

C16H17N3OS — CID 79516074

IUPAC6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NCCc3cccnc3)sc2c1
InChIInChI=1S/C16H17N3OS/c1-2-20-13-5-6-14-15(10-13)21-16(19-14)18-9-7-12-4-3-8-17-11-12/h3-6,8,10-11H,2,7,9H2,1H3,(H,18,19)
InChIKeyLSGAHEWVVNCMES-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.74
Rot. Bonds6

About 6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine

6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine (PubChem CID 79516074) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
PubChem CID79516074
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(NCCc3cccnc3)sc2c1
InChIInChI=1S/C16H17N3OS/c1-2-20-13-5-6-14-15(10-13)21-16(19-14)18-9-7-12-4-3-8-17-11-12/h3-6,8,10-11H,2,7,9H2,1H3,(H,18,19)
InChIKeyLSGAHEWVVNCMES-UHFFFAOYSA-N
XLogP3.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
6-ethoxy-N-(3-ethoxypropyl)-1,3-benzothiazol-2-amine
CID 79518936
6-(cyclopropylmethoxy)-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 162380441
6-ethoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 115924915
1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-N-(2-pyridin-3-ylethyl)pyrrolidine-3-carboxamide
CID 154571378
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106049323
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844
1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 79518142
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
6-ethoxy-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 106419902
6-phenoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549639
6-ethoxy-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79518600

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine (CID 79516074) is 6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine is CCOc1ccc2nc(NCCc3cccnc3)sc2c1.
What is the InChIKey of 6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is LSGAHEWVVNCMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-20-13-5-6-14-15(10-13)21-16(19-14)18-9-7-12-4-3-8-17-11-12/h3-6,8,10-11H,2,7,9H2,1H3,(H,18,19).
What are the key properties of 6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine?
6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 299.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(2-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79516074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).