2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C15H24N2S — CID 80610124

IUPAC2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1CCCc2sc(C3CCCCCCC3)nc21
InChIInChI=1S/C15H24N2S/c16-12-9-6-10-13-14(12)17-15(18-13)11-7-4-2-1-3-5-8-11/h11-12H,1-10,16H2
InChIKeyOJAMIEYTWNGWJV-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.31
Rot. Bonds1

About 2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 80610124) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID80610124
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESNC1CCCc2sc(C3CCCCCCC3)nc21
InChIInChI=1S/C15H24N2S/c16-12-9-6-10-13-14(12)17-15(18-13)11-7-4-2-1-3-5-8-11/h11-12H,1-10,16H2
InChIKeyOJAMIEYTWNGWJV-UHFFFAOYSA-N
XLogP4.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 80610124) is 2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is NC1CCCc2sc(C3CCCCCCC3)nc21.
What is the InChIKey of 2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is OJAMIEYTWNGWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c16-12-9-6-10-13-14(12)17-15(18-13)11-7-4-2-1-3-5-8-11/h11-12H,1-10,16H2.
What are the key properties of 2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 264.44 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 80610124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).