N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine

C15H20N2OS — CID 78908893

IUPACN-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC3CCCCCC3)sc2c1
InChIInChI=1S/C15H20N2OS/c1-18-12-8-9-13-14(10-12)19-15(17-13)16-11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3,(H,16,17)
InChIKeyGDWGRDRGYNOPMW-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.44
Rot. Bonds3

About N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine

N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 78908893) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID78908893
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC3CCCCCC3)sc2c1
InChIInChI=1S/C15H20N2OS/c1-18-12-8-9-13-14(10-12)19-15(17-13)16-11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3,(H,16,17)
InChIKeyGDWGRDRGYNOPMW-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine
CID 79518605
N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564
N-(1,1-dioxothian-3-yl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519118
6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 71628391
N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518457
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
N-cyclohexyl-6-(6,7-dimethoxyquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 89325887
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870
N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519168

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine (CID 78908893) is N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(NC3CCCCCC3)sc2c1.
What is the InChIKey of N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is GDWGRDRGYNOPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-18-12-8-9-13-14(10-12)19-15(17-13)16-11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3,(H,16,17).
What are the key properties of N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine?
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 276.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 78908893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).