5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine

C15H21N3S — CID 62407869

IUPAC5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine
SMILESCC(Nc1ccc2scnc2c1N)C1CCCCC1
InChIInChI=1S/C15H21N3S/c1-10(11-5-3-2-4-6-11)18-12-7-8-13-15(14(12)16)17-9-19-13/h7-11,18H,2-6,16H2,1H3
InChIKeyTZGVCRGGGHMBJE-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.26
Rot. Bonds3

About 5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine

5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine (PubChem CID 62407869) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine
PubChem CID62407869
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine
SMILESCC(Nc1ccc2scnc2c1N)C1CCCCC1
InChIInChI=1S/C15H21N3S/c1-10(11-5-3-2-4-6-11)18-12-7-8-13-15(14(12)16)17-9-19-13/h7-11,18H,2-6,16H2,1H3
InChIKeyTZGVCRGGGHMBJE-UHFFFAOYSA-N
XLogP4.26
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine?
The IUPAC name of 5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine (CID 62407869) is 5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine.
What is the SMILES notation for 5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine?
The canonical SMILES for 5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine is CC(Nc1ccc2scnc2c1N)C1CCCCC1.
What is the InChIKey of 5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine?
The InChIKey is TZGVCRGGGHMBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-10(11-5-3-2-4-6-11)18-12-7-8-13-15(14(12)16)17-9-19-13/h7-11,18H,2-6,16H2,1H3.
What are the key properties of 5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine?
5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine has a molecular weight of 275.42 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine is sourced from PubChem (CID 62407869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).