6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine

C14H17ClN2S — CID 79528935

IUPAC6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
SMILESCC1CCCC(Nc2nc3ccc(Cl)cc3s2)C1
InChIInChI=1S/C14H17ClN2S/c1-9-3-2-4-11(7-9)16-14-17-12-6-5-10(15)8-13(12)18-14/h5-6,8-9,11H,2-4,7H2,1H3,(H,16,17)
InChIKeyLIHHXAKOFOBZFY-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.94
Rot. Bonds2

About 6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine

6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine (PubChem CID 79528935) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
PubChem CID79528935
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
SMILESCC1CCCC(Nc2nc3ccc(Cl)cc3s2)C1
InChIInChI=1S/C14H17ClN2S/c1-9-3-2-4-11(7-9)16-14-17-12-6-5-10(15)8-13(12)18-14/h5-6,8-9,11H,2-4,7H2,1H3,(H,16,17)
InChIKeyLIHHXAKOFOBZFY-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114548418
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 64742832
(1R,3S,4R)-3-amino-4-[(6-chloro-1,3-benzothiazol-2-yl)amino]cyclopentan-1-ol
CID 122438770
6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528174
6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 114111762
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
CID 130804866
6-chloro-N-(3-ethyl-2-methylcyclopentyl)-1,3-benzothiazol-2-amine
CID 79525707
5-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzothiazol-2-amine
CID 65470712
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine (CID 79528935) is 6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine is CC1CCCC(Nc2nc3ccc(Cl)cc3s2)C1.
What is the InChIKey of 6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine?
The InChIKey is LIHHXAKOFOBZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-9-3-2-4-11(7-9)16-14-17-12-6-5-10(15)8-13(12)18-14/h5-6,8-9,11H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine has a molecular weight of 280.82 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79528935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).