2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine

C16H12N4S — CID 63230957

IUPAC2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine
SMILESNc1ccc2nc(Nc3cccc4cccnc34)sc2c1
InChIInChI=1S/C16H12N4S/c17-11-6-7-12-14(9-11)21-16(19-12)20-13-5-1-3-10-4-2-8-18-15(10)13/h1-9H,17H2,(H,19,20)
InChIKeyXEFHUPHTAONUMW-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.17
Rot. Bonds2

About 2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine

2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine (PubChem CID 63230957) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine
PubChem CID63230957
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine
SMILESNc1ccc2nc(Nc3cccc4cccnc34)sc2c1
InChIInChI=1S/C16H12N4S/c17-11-6-7-12-14(9-11)21-16(19-12)20-13-5-1-3-10-4-2-8-18-15(10)13/h1-9H,17H2,(H,19,20)
InChIKeyXEFHUPHTAONUMW-UHFFFAOYSA-N
XLogP4.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine
CID 79525571
N-quinolin-8-yl-1,3-benzothiazol-2-amine
CID 29067966
4-N-(6-methyl-1,3-benzothiazol-2-yl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144764
2-N-(2-ethylphenyl)-1,3-benzothiazole-2,6-diamine
CID 63402819
2-N-quinolin-8-yl-1,3-benzoxazole-2,6-diamine
CID 79881931
2-fluoro-1-N-quinolin-8-ylbenzene-1,4-diamine
CID 43148647
2-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazole-2,6-diamine
CID 55185596
2-N-(2-bromo-4-fluorophenyl)-1,3-benzothiazole-2,6-diamine
CID 55186737
2-N-(3-propan-2-ylphenyl)-1,3-benzothiazole-2,6-diamine
CID 63402912
N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103298546
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144759
2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine
CID 173095043

Frequently Asked Questions

What is the IUPAC name of 2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine (CID 63230957) is 2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine is Nc1ccc2nc(Nc3cccc4cccnc34)sc2c1.
What is the InChIKey of 2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine?
The InChIKey is XEFHUPHTAONUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c17-11-6-7-12-14(9-11)21-16(19-12)20-13-5-1-3-10-4-2-8-18-15(10)13/h1-9H,17H2,(H,19,20).
What are the key properties of 2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine?
2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine has a molecular weight of 292.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 63230957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).