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

C12H17N3S — CID 39195312

IUPAC2-(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine
SMILESCc1nc2sc3c(n2c1CCN)CCCC3
InChIInChI=1S/C12H17N3S/c1-8-9(6-7-13)15-10-4-2-3-5-11(10)16-12(15)14-8/h2-7,13H2,1H3
InChIKeyPNLNQAPHRYIKQC-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.08
Rot. Bonds2

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

2-(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine (PubChem CID 39195312) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine
PubChem CID39195312
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine
SMILESCc1nc2sc3c(n2c1CCN)CCCC3
InChIInChI=1S/C12H17N3S/c1-8-9(6-7-13)15-10-4-2-3-5-11(10)16-12(15)14-8/h2-7,13H2,1H3
InChIKeyPNLNQAPHRYIKQC-UHFFFAOYSA-N
XLogP2.08
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine?
The IUPAC name of 2-(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine (CID 39195312) is 2-(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine is Cc1nc2sc3c(n2c1CCN)CCCC3.
What is the InChIKey of 2-(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine?
The InChIKey is PNLNQAPHRYIKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-8-9(6-7-13)15-10-4-2-3-5-11(10)16-12(15)14-8/h2-7,13H2,1H3.
What are the key properties of 2-(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine?
2-(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)ethanamine is sourced from PubChem (CID 39195312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).