1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine

C16H22N2S — CID 79819494

IUPAC1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1(N)Cc1nc2ccccc2s1
InChIInChI=1S/C16H22N2S/c1-2-12-7-5-6-10-16(12,17)11-15-18-13-8-3-4-9-14(13)19-15/h3-4,8-9,12H,2,5-7,10-11,17H2,1H3
InChIKeyQSBYVNJRFSNELC-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.14
Rot. Bonds3

About 1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine

1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine (PubChem CID 79819494) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine
PubChem CID79819494
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1(N)Cc1nc2ccccc2s1
InChIInChI=1S/C16H22N2S/c1-2-12-7-5-6-10-16(12,17)11-15-18-13-8-3-4-9-14(13)19-15/h3-4,8-9,12H,2,5-7,10-11,17H2,1H3
InChIKeyQSBYVNJRFSNELC-UHFFFAOYSA-N
XLogP4.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107450120
1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol
CID 79818993
1-(1,3-benzothiazol-2-ylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 104632347
[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine
CID 104631899
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carbonitrile
CID 104632299
1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carbonitrile
CID 113435213
1-(1,3-benzothiazol-2-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 79818593
3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol
CID 116539918
2-[(2-cyclopropylazepan-2-yl)methyl]-1,3-benzothiazole
CID 79826728
N-[[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 104631845
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate
CID 16565891

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine (CID 79819494) is 1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine is CCC1CCCCC1(N)Cc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine?
The InChIKey is QSBYVNJRFSNELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-2-12-7-5-6-10-16(12,17)11-15-18-13-8-3-4-9-14(13)19-15/h3-4,8-9,12H,2,5-7,10-11,17H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine?
1-(1,3-benzothiazol-2-ylmethyl)-2-ethylcyclohexan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.14, 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)-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 79819494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).