6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine

C13H22N2S — CID 90703953

IUPAC6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
SMILESNC1NC2=C(CC(C3CCCCC3)CC2)S1
InChIInChI=1S/C13H22N2S/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h9-10,13,15H,1-8,14H2
InChIKeyVLUBVOXALQHYTD-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.16
Rot. Bonds1

About 6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine

6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine (PubChem CID 90703953) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
PubChem CID90703953
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
SMILESNC1NC2=C(CC(C3CCCCC3)CC2)S1
InChIInChI=1S/C13H22N2S/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h9-10,13,15H,1-8,14H2
InChIKeyVLUBVOXALQHYTD-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine (CID 90703953) is 6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine is NC1NC2=C(CC(C3CCCCC3)CC2)S1.
What is the InChIKey of 6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The InChIKey is VLUBVOXALQHYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c14-13-15-11-7-6-10(8-12(11)16-13)9-4-2-1-3-5-9/h9-10,13,15H,1-8,14H2.
What are the key properties of 6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 90703953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).