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

C15H20N2OS — CID 71628391

IUPAC6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC3CCCCC3C)sc2c1
InChIInChI=1S/C15H20N2OS/c1-10-5-3-4-6-12(10)16-15-17-13-8-7-11(18-2)9-14(13)19-15/h7-10,12H,3-6H2,1-2H3,(H,16,17)
InChIKeyYOYJYVCHDCCNRN-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.30
Rot. Bonds3

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

6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine (PubChem CID 71628391) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
PubChem CID71628391
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC3CCCCC3C)sc2c1
InChIInChI=1S/C15H20N2OS/c1-10-5-3-4-6-12(10)16-15-17-13-8-7-11(18-2)9-14(13)19-15/h7-10,12H,3-6H2,1-2H3,(H,16,17)
InChIKeyYOYJYVCHDCCNRN-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine
CID 79518605
6-methyl-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 78908981
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518457
N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519168
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
N-(1,1-dioxothian-3-yl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519118
6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
trans-(1S,2S)-2-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6974913
N-[(1R,2R)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2,5-dimethoxybenzamide
CID 122438688

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine (CID 71628391) is 6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine is COc1ccc2nc(NC3CCCCC3C)sc2c1.
What is the InChIKey of 6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine?
The InChIKey is YOYJYVCHDCCNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-5-3-4-6-12(10)16-15-17-13-8-7-11(18-2)9-14(13)19-15/h7-10,12H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine?
6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine has a molecular weight of 276.40 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 71628391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).