6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine

C17H18N4O2S — CID 122463269

IUPAC6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine
SMILESCOCCOc1ccc2nc(N/N=C(\C)c3ccccn3)sc2c1
InChIInChI=1S/C17H18N4O2S/c1-12(14-5-3-4-8-18-14)20-21-17-19-15-7-6-13(11-16(15)24-17)23-10-9-22-2/h3-8,11H,9-10H2,1-2H3,(H,19,21)/b20-12+
InChIKeyUECLDZVGHHLWKU-UDWIEESQSA-N
MW342.42 g/mol
LogP3.55
Rot. Bonds7

About 6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine

6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine (PubChem CID 122463269) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine
PubChem CID122463269
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine
SMILESCOCCOc1ccc2nc(N/N=C(\C)c3ccccn3)sc2c1
InChIInChI=1S/C17H18N4O2S/c1-12(14-5-3-4-8-18-14)20-21-17-19-15-7-6-13(11-16(15)24-17)23-10-9-22-2/h3-8,11H,9-10H2,1-2H3,(H,19,21)/b20-12+
InChIKeyUECLDZVGHHLWKU-UDWIEESQSA-N
XLogP3.55
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Amino-6-ethoxybenzothiazole, 2-
CID 7192
N-(4-(3-morpholinopyridin-2-yloxy)phenyl)benzo[d]thiazol-2-amine
CID 59327176
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 162671394
6-methoxy-N-(4-(pyridin-4-yl)thiazol-2-yl)benzo[d]thiazol-2-amine
CID 7086347
N,N-Dimethyl-6-[2-(1-piperidinyl)ethoxy]-1,3-benzothiazol-2-amine
CID 566936
5-(6-methoxybenzo[d]thiazol-2-yl)-N,N-dimethylpyridin-2-amine
CID 24757878
6-Methoxy-2-(2-((pyridin-3-yloxy)methyl)piperazin-1-yl)benzo[d]thiazole hydrochloride
CID 66797146
6-methoxy-2-[(2R)-2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
CID 66797847
5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 71451945
5-[6-[2-(2-fluoroethoxy)ethoxy]-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
CID 71455503
5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylpyridin-2-amine
CID 71460938

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine (CID 122463269) is 6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine is COCCOc1ccc2nc(N/N=C(\C)c3ccccn3)sc2c1.
What is the InChIKey of 6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine?
The InChIKey is UECLDZVGHHLWKU-UDWIEESQSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12(14-5-3-4-8-18-14)20-21-17-19-15-7-6-13(11-16(15)24-17)23-10-9-22-2/h3-8,11H,9-10H2,1-2H3,(H,19,21)/b20-12+.
What are the key properties of 6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine?
6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine has a molecular weight of 342.42 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 122463269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).