N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

C17H14N4O2S — CID 162670809

IUPACN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESc1cnc2c(c1)CCC/C2=N\Nc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C17H14N4O2S/c1-3-10-4-2-6-18-16(10)11(5-1)20-21-17-19-12-7-13-14(23-9-22-13)8-15(12)24-17/h2,4,6-8H,1,3,5,9H2,(H,19,21)/b20-11+
InChIKeyYHUXPHWTYOIVDE-RGVLZGJSSA-N
MW338.39 g/mol
LogP3.57
Rot. Bonds2

About N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (PubChem CID 162670809) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
PubChem CID162670809
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
SMILESc1cnc2c(c1)CCC/C2=N\Nc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C17H14N4O2S/c1-3-10-4-2-6-18-16(10)11(5-1)20-21-17-19-12-7-13-14(23-9-22-13)8-15(12)24-17/h2,4,6-8H,1,3,5,9H2,(H,19,21)/b20-11+
InChIKeyYHUXPHWTYOIVDE-RGVLZGJSSA-N
XLogP3.57
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 7086360
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 162671394
6-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazole
CID 3236538
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 162643853
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-methoxy-1,3-benzothiazol-2-amine
CID 162668600
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine
CID 162675330
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 7086359
6-((6,7-Dimethoxyquinolin-4-yl)oxy)-5-fluorobenzo[d]thiazol-2-amine
CID 11303237
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-fluoro-1,3-benzothiazol-2-amine
CID 123834453
N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 7086361
N-([1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-yl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 18572568
6-(6,7-Dimethoxyquinolin-4-yloxy)benzo[d]thiazol-2-amine
CID 11210381

Frequently Asked Questions

What is the IUPAC name of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The IUPAC name of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine (CID 162670809) is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine.
What is the SMILES notation for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The canonical SMILES for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is c1cnc2c(c1)CCC/C2=N\Nc1nc2cc3c(cc2s1)OCO3.
What is the InChIKey of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
The InChIKey is YHUXPHWTYOIVDE-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-3-10-4-2-6-18-16(10)11(5-1)20-21-17-19-12-7-13-14(23-9-22-13)8-15(12)24-17/h2,4,6-8H,1,3,5,9H2,(H,19,21)/b20-11+.
What are the key properties of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine?
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine has a molecular weight of 338.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine is sourced from PubChem (CID 162670809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).