2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine

C17H24N2S — CID 104631488

IUPAC2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(Cc2nc3ccccc3s2)C1
InChIInChI=1S/C17H24N2S/c1-3-12-8-9-14(18-2)13(10-12)11-17-19-15-6-4-5-7-16(15)20-17/h4-7,12-14,18H,3,8-11H2,1-2H3
InChIKeyUBWBRCPVAPGQOL-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.25
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine

2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine (PubChem CID 104631488) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine
PubChem CID104631488
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine
SMILESCCC1CCC(NC)C(Cc2nc3ccccc3s2)C1
InChIInChI=1S/C17H24N2S/c1-3-12-8-9-14(18-2)13(10-12)11-17-19-15-6-4-5-7-16(15)20-17/h4-7,12-14,18H,3,8-11H2,1-2H3
InChIKeyUBWBRCPVAPGQOL-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine (CID 104631488) is 2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine is CCC1CCC(NC)C(Cc2nc3ccccc3s2)C1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine?
The InChIKey is UBWBRCPVAPGQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-12-8-9-14(18-2)13(10-12)11-17-19-15-6-4-5-7-16(15)20-17/h4-7,12-14,18H,3,8-11H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine?
2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 104631488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).