2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine

C13H19N3S — CID 82035068

IUPAC2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine
SMILESCc1nc2sc3c(n2c1CCN)CCC(C)C3
InChIInChI=1S/C13H19N3S/c1-8-3-4-11-12(7-8)17-13-15-9(2)10(5-6-14)16(11)13/h8H,3-7,14H2,1-2H3
InChIKeyFPJGCSHWSFDTBW-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.33
Rot. Bonds2

About 2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine

2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine (PubChem CID 82035068) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine
PubChem CID82035068
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine
SMILESCc1nc2sc3c(n2c1CCN)CCC(C)C3
InChIInChI=1S/C13H19N3S/c1-8-3-4-11-12(7-8)17-13-15-9(2)10(5-6-14)16(11)13/h8H,3-7,14H2,1-2H3
InChIKeyFPJGCSHWSFDTBW-UHFFFAOYSA-N
XLogP2.33
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine?
The IUPAC name of 2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine (CID 82035068) is 2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine?
The canonical SMILES for 2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine is Cc1nc2sc3c(n2c1CCN)CCC(C)C3.
What is the InChIKey of 2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine?
The InChIKey is FPJGCSHWSFDTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-8-3-4-11-12(7-8)17-13-15-9(2)10(5-6-14)16(11)13/h8H,3-7,14H2,1-2H3.
What are the key properties of 2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine?
2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine has a molecular weight of 249.38 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine is sourced from PubChem (CID 82035068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).