2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole

C16H19ClN2S — CID 79525130

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole
SMILESClc1ccc2nc(C3CCC4CCCCC4N3)sc2c1
InChIInChI=1S/C16H19ClN2S/c17-11-6-8-13-15(9-11)20-16(19-13)14-7-5-10-3-1-2-4-12(10)18-14/h6,8-10,12,14,18H,1-5,7H2
InChIKeyISIQZGYYUVFUOU-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.93
Rot. Bonds1

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole

2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole (PubChem CID 79525130) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole
PubChem CID79525130
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole
SMILESClc1ccc2nc(C3CCC4CCCCC4N3)sc2c1
InChIInChI=1S/C16H19ClN2S/c17-11-6-8-13-15(9-11)20-16(19-13)14-7-5-10-3-1-2-4-12(10)18-14/h6,8-10,12,14,18H,1-5,7H2
InChIKeyISIQZGYYUVFUOU-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole with MolForge

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Related Compounds

6-chloro-2-piperidin-2-yl-1,3-benzothiazole
CID 79528887
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-6-fluoro-1,3-benzothiazole
CID 79147801
2-(6-chloro-1H-benzimidazol-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 66470272
2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole
CID 79528719
6-chloro-2-piperidin-3-yl-1,3-benzothiazole
CID 79528193
2-(azepan-2-yl)-5-chloro-1,3-benzothiazole
CID 64560708
(6-chloro-1,3-benzothiazol-2-yl)-cyclohexylmethanamine
CID 79528629
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762
(2R,3R,4S,5R)-2-(6-chloro-1,3-benzothiazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57499565
6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole (CID 79525130) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole is Clc1ccc2nc(C3CCC4CCCCC4N3)sc2c1.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole?
The InChIKey is ISIQZGYYUVFUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c17-11-6-8-13-15(9-11)20-16(19-13)14-7-5-10-3-1-2-4-12(10)18-14/h6,8-10,12,14,18H,1-5,7H2.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole has a molecular weight of 306.86 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole is sourced from PubChem (CID 79525130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).