methane;6-methyl-1,3-benzothiazole;methylcyclohexane

C16H25NS — CID 158733044

IUPACmethane;6-methyl-1,3-benzothiazole;methylcyclohexane
SMILESC.CC1CCCCC1.Cc1ccc2ncsc2c1
InChIInChI=1S/C8H7NS.C7H14.CH4/c1-6-2-3-7-8(4-6)10-5-9-7;1-7-5-3-2-4-6-7;/h2-5H,1H3;7H,2-6H2,1H3;1H4
InChIKeyILIJMUIDGGKDDA-UHFFFAOYSA-N
MW263.45 g/mol
LogP5.83
Rot. Bonds

About methane;6-methyl-1,3-benzothiazole;methylcyclohexane

methane;6-methyl-1,3-benzothiazole;methylcyclohexane (PubChem CID 158733044) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is methane;6-methyl-1,3-benzothiazole;methylcyclohexane.

Molecular Properties

Compound Namemethane;6-methyl-1,3-benzothiazole;methylcyclohexane
PubChem CID158733044
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Namemethane;6-methyl-1,3-benzothiazole;methylcyclohexane
SMILESC.CC1CCCCC1.Cc1ccc2ncsc2c1
InChIInChI=1S/C8H7NS.C7H14.CH4/c1-6-2-3-7-8(4-6)10-5-9-7;1-7-5-3-2-4-6-7;/h2-5H,1H3;7H,2-6H2,1H3;1H4
InChIKeyILIJMUIDGGKDDA-UHFFFAOYSA-N
XLogP5.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.45
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-cycloheptyl-1,3-benzothiazole
CID 173169792
azane;5-methyl-1,3-benzothiazole
CID 174920703
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-benzothiazole
CID 107806626
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
ethyl 2-[1,3-benzothiazol-6-yl(cyclohexanecarbonyl)amino]acetate
CID 20871843
methylcyclopentane;1,3-xylene
CID 142361462
N-(1,3-benzothiazol-6-yl)formamide;methylcyclopropane;1-methyl-4-nitrobenzene;hydrochloride
CID 143595084
methylcyclopentane;1,3,5-trimethylbenzene
CID 159091428
N-[(2E)-cyclooct-2-en-1-yl]-1,3-benzothiazol-6-amine
CID 114227910
N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine
CID 102416697
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191

Frequently Asked Questions

What is the IUPAC name of methane;6-methyl-1,3-benzothiazole;methylcyclohexane?
The IUPAC name of methane;6-methyl-1,3-benzothiazole;methylcyclohexane (CID 158733044) is methane;6-methyl-1,3-benzothiazole;methylcyclohexane.
What is the SMILES notation for methane;6-methyl-1,3-benzothiazole;methylcyclohexane?
The canonical SMILES for methane;6-methyl-1,3-benzothiazole;methylcyclohexane is C.CC1CCCCC1.Cc1ccc2ncsc2c1.
What is the InChIKey of methane;6-methyl-1,3-benzothiazole;methylcyclohexane?
The InChIKey is ILIJMUIDGGKDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.C7H14.CH4/c1-6-2-3-7-8(4-6)10-5-9-7;1-7-5-3-2-4-6-7;/h2-5H,1H3;7H,2-6H2,1H3;1H4.
What are the key properties of methane;6-methyl-1,3-benzothiazole;methylcyclohexane?
methane;6-methyl-1,3-benzothiazole;methylcyclohexane has a molecular weight of 263.45 g/mol, XLogP of 5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-methyl-1,3-benzothiazole;methylcyclohexane is sourced from PubChem (CID 158733044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).