2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine

C12H20N2S — CID 62542565

IUPAC2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine
SMILESCCC1CCc2nc(CCNC)sc2C1
InChIInChI=1S/C12H20N2S/c1-3-9-4-5-10-11(8-9)15-12(14-10)6-7-13-2/h9,13H,3-8H2,1-2H3
InChIKeyUIUDGPQDGRNMOI-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.42
Rot. Bonds4

About 2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine

2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine (PubChem CID 62542565) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine
PubChem CID62542565
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine
SMILESCCC1CCc2nc(CCNC)sc2C1
InChIInChI=1S/C12H20N2S/c1-3-9-4-5-10-11(8-9)15-12(14-10)6-7-13-2/h9,13H,3-8H2,1-2H3
InChIKeyUIUDGPQDGRNMOI-UHFFFAOYSA-N
XLogP2.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine (CID 62542565) is 2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine is CCC1CCc2nc(CCNC)sc2C1.
What is the InChIKey of 2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine?
The InChIKey is UIUDGPQDGRNMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-9-4-5-10-11(8-9)15-12(14-10)6-7-13-2/h9,13H,3-8H2,1-2H3.
What are the key properties of 2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine?
2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine has a molecular weight of 224.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 62542565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).