1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine

C17H24N2S — CID 107450120

IUPAC1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(N)(Cc2nc3ccccc3s2)C1
InChIInChI=1S/C17H24N2S/c1-12(2)13-6-5-9-17(18,10-13)11-16-19-14-7-3-4-8-15(14)20-16/h3-4,7-8,12-13H,5-6,9-11,18H2,1-2H3
InChIKeyCGCQQNKUJMMYCC-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.38
Rot. Bonds3

About 1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine

1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107450120) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107450120
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(N)(Cc2nc3ccccc3s2)C1
InChIInChI=1S/C17H24N2S/c1-12(2)13-6-5-9-17(18,10-13)11-16-19-14-7-3-4-8-15(14)20-16/h3-4,7-8,12-13H,5-6,9-11,18H2,1-2H3
InChIKeyCGCQQNKUJMMYCC-UHFFFAOYSA-N
XLogP4.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine
CID 43118643
1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine
CID 79819494
N-[[3-(1,3-benzothiazol-2-ylmethyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534767
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine
CID 62632788
1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclohexane-1-carbonitrile
CID 104632302
3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol
CID 116539918
1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol
CID 79818993
[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine
CID 104631899
1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol
CID 103564355
1-(1,3-benzothiazol-2-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 79818593
N-[[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 104631845
N-(1,3-benzothiazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80692058

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine (CID 107450120) is 1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(N)(Cc2nc3ccccc3s2)C1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is CGCQQNKUJMMYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12(2)13-6-5-9-17(18,10-13)11-16-19-14-7-3-4-8-15(14)20-16/h3-4,7-8,12-13H,5-6,9-11,18H2,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine?
1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107450120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).