1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine

C15H19ClN2S — CID 61292667

IUPAC1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc3cccc(Cl)c3s2)CC1
InChIInChI=1S/C15H19ClN2S/c1-2-10-6-8-15(17,9-7-10)14-18-12-5-3-4-11(16)13(12)19-14/h3-5,10H,2,6-9,17H2,1H3
InChIKeyAQBRCUMXEYBETM-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.70
Rot. Bonds2

About 1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine

1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine (PubChem CID 61292667) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine
PubChem CID61292667
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc3cccc(Cl)c3s2)CC1
InChIInChI=1S/C15H19ClN2S/c1-2-10-6-8-15(17,9-7-10)14-18-12-5-3-4-11(16)13(12)19-14/h3-5,10H,2,6-9,17H2,1H3
InChIKeyAQBRCUMXEYBETM-UHFFFAOYSA-N
XLogP4.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine?
The IUPAC name of 1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine (CID 61292667) is 1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for 1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine is CCC1CCC(N)(c2nc3cccc(Cl)c3s2)CC1.
What is the InChIKey of 1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine?
The InChIKey is AQBRCUMXEYBETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-2-10-6-8-15(17,9-7-10)14-18-12-5-3-4-11(16)13(12)19-14/h3-5,10H,2,6-9,17H2,1H3.
What are the key properties of 1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine?
1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine has a molecular weight of 294.85 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1,3-benzothiazol-2-yl)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 61292667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).