N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine

C17H16N4OS — CID 162675330

IUPACN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2sc(N/N=C3\CCCc4cccnc43)nc2c1
InChIInChI=1S/C17H16N4OS/c1-22-12-7-8-15-14(10-12)19-17(23-15)21-20-13-6-2-4-11-5-3-9-18-16(11)13/h3,5,7-10H,2,4,6H2,1H3,(H,19,21)/b20-13+
InChIKeyXGULHNZHJQITFO-DEDYPNTBSA-N
MW324.41 g/mol
LogP3.85
Rot. Bonds3

About N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine

N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine (PubChem CID 162675330) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine
PubChem CID162675330
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2sc(N/N=C3\CCCc4cccnc43)nc2c1
InChIInChI=1S/C17H16N4OS/c1-22-12-7-8-15-14(10-12)19-17(23-15)21-20-13-6-2-4-11-5-3-9-18-16(11)13/h3,5,7-10H,2,4,6H2,1H3,(H,19,21)/b20-13+
InChIKeyXGULHNZHJQITFO-DEDYPNTBSA-N
XLogP3.85
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine (CID 162675330) is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine is COc1ccc2sc(N/N=C3\CCCc4cccnc43)nc2c1.
What is the InChIKey of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is XGULHNZHJQITFO-DEDYPNTBSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-22-12-7-8-15-14(10-12)19-17(23-15)21-20-13-6-2-4-11-5-3-9-18-16(11)13/h3,5,7-10H,2,4,6H2,1H3,(H,19,21)/b20-13+.
What are the key properties of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine?
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 324.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-5-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162675330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).