N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine

C17H24N2S — CID 83961945

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine
SMILESc1ccc2sc(CCNCCC3CCCCC3)nc2c1
InChIInChI=1S/C17H24N2S/c1-2-6-14(7-3-1)10-12-18-13-11-17-19-15-8-4-5-9-16(15)20-17/h4-5,8-9,14,18H,1-3,6-7,10-13H2
InChIKeyGAGNVBVEDYJWJZ-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.40
Rot. Bonds6

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine (PubChem CID 83961945) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine
PubChem CID83961945
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine
SMILESc1ccc2sc(CCNCCC3CCCCC3)nc2c1
InChIInChI=1S/C17H24N2S/c1-2-6-14(7-3-1)10-12-18-13-11-17-19-15-8-4-5-9-16(15)20-17/h4-5,8-9,14,18H,1-3,6-7,10-13H2
InChIKeyGAGNVBVEDYJWJZ-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-(cyclohexylmethyl)propan-1-amine
CID 83961919
2-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 43654900
N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine
CID 43394930
N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide
CID 43003046
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 43512900
1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 54932145
2-(2-chloro-4-cyclopentylbutyl)-1,3-benzothiazole
CID 66460945
2-[(3-chlorocycloheptyl)methyl]-1,3-benzothiazole
CID 79819037
1,3-benzothiazol-2-ylmethyl 3-cyclohexylpropanoate
CID 2397721
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 71983741
1-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbutane-1,2-diamine
CID 83961929

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine (CID 83961945) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine is c1ccc2sc(CCNCCC3CCCCC3)nc2c1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine?
The InChIKey is GAGNVBVEDYJWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-2-6-14(7-3-1)10-12-18-13-11-17-19-15-8-4-5-9-16(15)20-17/h4-5,8-9,14,18H,1-3,6-7,10-13H2.
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine has a molecular weight of 288.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine is sourced from PubChem (CID 83961945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).