N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine

C16H22N2S — CID 79142849

IUPACN-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC3CCC(C)C(C)C3)sc2c1
InChIInChI=1S/C16H22N2S/c1-10-4-7-14-15(8-10)19-16(18-14)17-13-6-5-11(2)12(3)9-13/h4,7-8,11-13H,5-6,9H2,1-3H3,(H,17,18)
InChIKeyOLWRRFSCKHNOQK-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.84
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine

N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 79142849) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine
PubChem CID79142849
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC3CCC(C)C(C)C3)sc2c1
InChIInChI=1S/C16H22N2S/c1-10-4-7-14-15(8-10)19-16(18-14)17-13-6-5-11(2)12(3)9-13/h4,7-8,11-13H,5-6,9H2,1-3H3,(H,17,18)
InChIKeyOLWRRFSCKHNOQK-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine (CID 79142849) is N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine is Cc1ccc2nc(NC3CCC(C)C(C)C3)sc2c1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is OLWRRFSCKHNOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-10-4-7-14-15(8-10)19-16(18-14)17-13-6-5-11(2)12(3)9-13/h4,7-8,11-13H,5-6,9H2,1-3H3,(H,17,18).
What are the key properties of N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine?
N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 274.43 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).