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

C12H17N3S — CID 82035160

IUPAC(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine
SMILESCc1nc2sc3c(n2c1CN)CCC(C)C3
InChIInChI=1S/C12H17N3S/c1-7-3-4-9-11(5-7)16-12-14-8(2)10(6-13)15(9)12/h7H,3-6,13H2,1-2H3
InChIKeyDZPFELZQZUDSOS-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.29
Rot. Bonds1

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

(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine (PubChem CID 82035160) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is (2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine.

Molecular Properties

Compound Name(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine
PubChem CID82035160
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine
SMILESCc1nc2sc3c(n2c1CN)CCC(C)C3
InChIInChI=1S/C12H17N3S/c1-7-3-4-9-11(5-7)16-12-14-8(2)10(6-13)15(9)12/h7H,3-6,13H2,1-2H3
InChIKeyDZPFELZQZUDSOS-UHFFFAOYSA-N
XLogP2.29
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
The IUPAC name of (2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine (CID 82035160) is (2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine.
What is the SMILES notation for (2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
The canonical SMILES for (2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine is Cc1nc2sc3c(n2c1CN)CCC(C)C3.
What is the InChIKey of (2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
The InChIKey is DZPFELZQZUDSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-7-3-4-9-11(5-7)16-12-14-8(2)10(6-13)15(9)12/h7H,3-6,13H2,1-2H3.
What are the key properties of (2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
(2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine has a molecular weight of 235.36 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine is sourced from PubChem (CID 82035160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).