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

C16H22N2OS — CID 79518605

IUPAC6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC3CCCCCC3C)sc2c1
InChIInChI=1S/C16H22N2OS/c1-11-6-4-3-5-7-13(11)17-16-18-14-9-8-12(19-2)10-15(14)20-16/h8-11,13H,3-7H2,1-2H3,(H,17,18)
InChIKeyWRMIVIZSPSATKR-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.69
Rot. Bonds3

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

6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine (PubChem CID 79518605) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine
PubChem CID79518605
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC3CCCCCC3C)sc2c1
InChIInChI=1S/C16H22N2OS/c1-11-6-4-3-5-7-13(11)17-16-18-14-9-8-12(19-2)10-15(14)20-16/h8-11,13H,3-7H2,1-2H3,(H,17,18)
InChIKeyWRMIVIZSPSATKR-UHFFFAOYSA-N
XLogP4.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 71628391
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
6-methyl-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 78908981
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-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519168
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-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564
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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine (CID 79518605) is 6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine is COc1ccc2nc(NC3CCCCCC3C)sc2c1.
What is the InChIKey of 6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine?
The InChIKey is WRMIVIZSPSATKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-6-4-3-5-7-13(11)17-16-18-14-9-8-12(19-2)10-15(14)20-16/h8-11,13H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine?
6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine has a molecular weight of 290.43 g/mol, XLogP of 4.69, 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-methylcycloheptyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79518605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).