3-cyclohexyl-2H-1,3-benzothiazol-2-amine

C13H18N2S — CID 90780251

IUPAC3-cyclohexyl-2H-1,3-benzothiazol-2-amine
SMILESNC1Sc2ccccc2N1C1CCCCC1
InChIInChI=1S/C13H18N2S/c14-13-15(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-13/h4-5,8-10,13H,1-3,6-7,14H2
InChIKeyAJDCLISFZGOREU-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.17
Rot. Bonds1

About 3-cyclohexyl-2H-1,3-benzothiazol-2-amine

3-cyclohexyl-2H-1,3-benzothiazol-2-amine (PubChem CID 90780251) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 3-cyclohexyl-2H-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name3-cyclohexyl-2H-1,3-benzothiazol-2-amine
PubChem CID90780251
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name3-cyclohexyl-2H-1,3-benzothiazol-2-amine
SMILESNC1Sc2ccccc2N1C1CCCCC1
InChIInChI=1S/C13H18N2S/c14-13-15(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-13/h4-5,8-10,13H,1-3,6-7,14H2
InChIKeyAJDCLISFZGOREU-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2H-1,3-benzothiazol-2-amine?
The IUPAC name of 3-cyclohexyl-2H-1,3-benzothiazol-2-amine (CID 90780251) is 3-cyclohexyl-2H-1,3-benzothiazol-2-amine.
What is the SMILES notation for 3-cyclohexyl-2H-1,3-benzothiazol-2-amine?
The canonical SMILES for 3-cyclohexyl-2H-1,3-benzothiazol-2-amine is NC1Sc2ccccc2N1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2H-1,3-benzothiazol-2-amine?
The InChIKey is AJDCLISFZGOREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c14-13-15(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-13/h4-5,8-10,13H,1-3,6-7,14H2.
What are the key properties of 3-cyclohexyl-2H-1,3-benzothiazol-2-amine?
3-cyclohexyl-2H-1,3-benzothiazol-2-amine has a molecular weight of 234.37 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2H-1,3-benzothiazol-2-amine is sourced from PubChem (CID 90780251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).