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

C13H16N2S — CID 62816731

IUPACN-cyclohexyl-2,1-benzothiazol-3-amine
SMILESc1ccc2c(NC3CCCCC3)snc2c1
InChIInChI=1S/C13H16N2S/c1-2-6-10(7-3-1)14-13-11-8-4-5-9-12(11)15-16-13/h4-5,8-10,14H,1-3,6-7H2
InChIKeySTLRZNUKLKQNJI-UHFFFAOYSA-N
MW232.35 g/mol
LogP4.04
Rot. Bonds2

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

N-cyclohexyl-2,1-benzothiazol-3-amine (PubChem CID 62816731) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-cyclohexyl-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-2,1-benzothiazol-3-amine
PubChem CID62816731
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-cyclohexyl-2,1-benzothiazol-3-amine
SMILESc1ccc2c(NC3CCCCC3)snc2c1
InChIInChI=1S/C13H16N2S/c1-2-6-10(7-3-1)14-13-11-8-4-5-9-12(11)15-16-13/h4-5,8-10,14H,1-3,6-7H2
InChIKeySTLRZNUKLKQNJI-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,1-benzothiazol-3-amine?
The IUPAC name of N-cyclohexyl-2,1-benzothiazol-3-amine (CID 62816731) is N-cyclohexyl-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-cyclohexyl-2,1-benzothiazol-3-amine?
The canonical SMILES for N-cyclohexyl-2,1-benzothiazol-3-amine is c1ccc2c(NC3CCCCC3)snc2c1.
What is the InChIKey of N-cyclohexyl-2,1-benzothiazol-3-amine?
The InChIKey is STLRZNUKLKQNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-2-6-10(7-3-1)14-13-11-8-4-5-9-12(11)15-16-13/h4-5,8-10,14H,1-3,6-7H2.
What are the key properties of N-cyclohexyl-2,1-benzothiazol-3-amine?
N-cyclohexyl-2,1-benzothiazol-3-amine has a molecular weight of 232.35 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,1-benzothiazol-3-amine is sourced from PubChem (CID 62816731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).