6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine

C16H10ClN3S — CID 79525571

IUPAC6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(Nc3cccc4cccnc34)sc2c1
InChIInChI=1S/C16H10ClN3S/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,(H,19,20)
InChIKeyBWGUOPYNARNFTL-UHFFFAOYSA-N
MW311.80 g/mol
LogP5.24
Rot. Bonds2

About 6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine

6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine (PubChem CID 79525571) has the molecular formula C16H10ClN3S and a molecular weight of 311.80 g/mol. Its IUPAC name is 6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine
PubChem CID79525571
Molecular FormulaC16H10ClN3S
Molecular Weight311.80 g/mol
Exact Mass311.03
IUPAC Name6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(Nc3cccc4cccnc34)sc2c1
InChIInChI=1S/C16H10ClN3S/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,(H,19,20)
InChIKeyBWGUOPYNARNFTL-UHFFFAOYSA-N
XLogP5.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.80
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-quinolin-8-yl-1,3-benzothiazole-2,6-diamine
CID 63230957
N-quinolin-8-yl-1,3-benzothiazol-2-amine
CID 29067966
6-chloro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79526478
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
4-N-(6-methyl-1,3-benzothiazol-2-yl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144764
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine
CID 166929373
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine
CID 91315344
6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine
CID 79525572

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine (CID 79525571) is 6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine is Clc1ccc2nc(Nc3cccc4cccnc34)sc2c1.
What is the InChIKey of 6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine?
The InChIKey is BWGUOPYNARNFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3S/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,(H,19,20).
What are the key properties of 6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine?
6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine has a molecular weight of 311.80 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-quinolin-8-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79525571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).