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

C17H16N4S — CID 162643499

IUPACN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(N/N=C3\CCCc4cccnc43)sc2c1
InChIInChI=1S/C17H16N4S/c1-11-7-8-13-15(10-11)22-17(19-13)21-20-14-6-2-4-12-5-3-9-18-16(12)14/h3,5,7-10H,2,4,6H2,1H3,(H,19,21)/b20-14+
InChIKeyGMWWTNUZZCTBME-XSFVSMFZSA-N
MW308.41 g/mol
LogP4.15
Rot. Bonds2

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

N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 162643499) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-methyl-1,3-benzothiazol-2-amine
PubChem CID162643499
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC NameN-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(N/N=C3\CCCc4cccnc43)sc2c1
InChIInChI=1S/C17H16N4S/c1-11-7-8-13-15(10-11)22-17(19-13)21-20-14-6-2-4-12-5-3-9-18-16(12)14/h3,5,7-10H,2,4,6H2,1H3,(H,19,21)/b20-14+
InChIKeyGMWWTNUZZCTBME-XSFVSMFZSA-N
XLogP4.15
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-methyl-1,3-benzothiazol-2-amine (CID 162643499) is N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-methyl-1,3-benzothiazol-2-amine is Cc1ccc2nc(N/N=C3\CCCc4cccnc43)sc2c1.
What is the InChIKey of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is GMWWTNUZZCTBME-XSFVSMFZSA-N. The full InChI is InChI=1S/C17H16N4S/c1-11-7-8-13-15(10-11)22-17(19-13)21-20-14-6-2-4-12-5-3-9-18-16(12)14/h3,5,7-10H,2,4,6H2,1H3,(H,19,21)/b20-14+.
What are the key properties of N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-methyl-1,3-benzothiazol-2-amine?
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 308.41 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162643499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).