2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine

C15H21N3S — CID 63231075

IUPAC2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine
SMILESCCN(c1nc2ccc(N)cc2s1)C1CCCCC1
InChIInChI=1S/C15H21N3S/c1-2-18(12-6-4-3-5-7-12)15-17-13-9-8-11(16)10-14(13)19-15/h8-10,12H,2-7,16H2,1H3
InChIKeyQCNUENXGMOISOX-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.04
Rot. Bonds3

About 2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine

2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine (PubChem CID 63231075) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine
PubChem CID63231075
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine
SMILESCCN(c1nc2ccc(N)cc2s1)C1CCCCC1
InChIInChI=1S/C15H21N3S/c1-2-18(12-6-4-3-5-7-12)15-17-13-9-8-11(16)10-14(13)19-15/h8-10,12H,2-7,16H2,1H3
InChIKeyQCNUENXGMOISOX-UHFFFAOYSA-N
XLogP4.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-1,3-benzothiazol-2-yl)-cyclohexylamino]ethanol
CID 63231458
2-[(6-amino-1,3-benzothiazol-2-yl)-cyclopropylamino]ethanol
CID 63231382
2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-2,6-diamine
CID 63231251
2-N-(cyclopropylmethyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231248
2-N-[3-(diethylamino)propyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 68770772
N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine
CID 130399393
2-N-ethyl-2-N-(2-methylbutyl)-1,3-benzothiazole-2,6-diamine
CID 79478206
2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63405939
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
2-(2-ethylazepan-1-yl)-1,3-benzothiazol-6-amine
CID 104688859
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63233465
N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine
CID 60870636

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine (CID 63231075) is 2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine is CCN(c1nc2ccc(N)cc2s1)C1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine?
The InChIKey is QCNUENXGMOISOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-18(12-6-4-3-5-7-12)15-17-13-9-8-11(16)10-14(13)19-15/h8-10,12H,2-7,16H2,1H3.
What are the key properties of 2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine?
2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine has a molecular weight of 275.42 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-2-N-ethyl-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 63231075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).