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

C15H23N3S — CID 82035154

IUPAC(2-tert-butyl-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine
SMILESCC1CCc2c(sc3nc(C(C)(C)C)c(CN)n23)C1
InChIInChI=1S/C15H23N3S/c1-9-5-6-10-12(7-9)19-14-17-13(15(2,3)4)11(8-16)18(10)14/h9H,5-8,16H2,1-4H3
InChIKeyAFWDIHWCYCFHET-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.28
Rot. Bonds1

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

(2-tert-butyl-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine (PubChem CID 82035154) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is (2-tert-butyl-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine
PubChem CID82035154
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name(2-tert-butyl-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine
SMILESCC1CCc2c(sc3nc(C(C)(C)C)c(CN)n23)C1
InChIInChI=1S/C15H23N3S/c1-9-5-6-10-12(7-9)19-14-17-13(15(2,3)4)11(8-16)18(10)14/h9H,5-8,16H2,1-4H3
InChIKeyAFWDIHWCYCFHET-UHFFFAOYSA-N
XLogP3.28
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
The IUPAC name of (2-tert-butyl-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine (CID 82035154) is (2-tert-butyl-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine.
What is the SMILES notation for (2-tert-butyl-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
The canonical SMILES for (2-tert-butyl-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine is CC1CCc2c(sc3nc(C(C)(C)C)c(CN)n23)C1.
What is the InChIKey of (2-tert-butyl-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
The InChIKey is AFWDIHWCYCFHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-9-5-6-10-12(7-9)19-14-17-13(15(2,3)4)11(8-16)18(10)14/h9H,5-8,16H2,1-4H3.
What are the key properties of (2-tert-butyl-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine?
(2-tert-butyl-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine has a molecular weight of 277.44 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanamine is sourced from PubChem (CID 82035154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).