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

C15H20N2OS — CID 64745304

IUPAC2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine
SMILESCC1CCC(Oc2nc3ccc(N)cc3s2)CC1C
InChIInChI=1S/C15H20N2OS/c1-9-3-5-12(7-10(9)2)18-15-17-13-6-4-11(16)8-14(13)19-15/h4,6,8-10,12H,3,5,7,16H2,1-2H3
InChIKeyVNEUPIUCBJRSJU-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.08
Rot. Bonds2

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

2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine (PubChem CID 64745304) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine
PubChem CID64745304
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine
SMILESCC1CCC(Oc2nc3ccc(N)cc3s2)CC1C
InChIInChI=1S/C15H20N2OS/c1-9-3-5-12(7-10(9)2)18-15-17-13-6-4-11(16)8-14(13)19-15/h4,6,8-10,12H,3,5,7,16H2,1-2H3
InChIKeyVNEUPIUCBJRSJU-UHFFFAOYSA-N
XLogP4.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine (CID 64745304) is 2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine is CC1CCC(Oc2nc3ccc(N)cc3s2)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine?
The InChIKey is VNEUPIUCBJRSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9-3-5-12(7-10(9)2)18-15-17-13-6-4-11(16)8-14(13)19-15/h4,6,8-10,12H,3,5,7,16H2,1-2H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine?
2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine has a molecular weight of 276.40 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-6-amine is sourced from PubChem (CID 64745304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).