2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine

C13H19N3S — CID 82068840

IUPAC2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCC(C)(C)c1nc2sc3c(n2c1N)CCCC3
InChIInChI=1S/C13H19N3S/c1-13(2,3)10-11(14)16-8-6-4-5-7-9(8)17-12(16)15-10/h4-7,14H2,1-3H3
InChIKeyGLNMXMJFELPBBE-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.15
Rot. Bonds

About 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine

2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 82068840) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID82068840
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCC(C)(C)c1nc2sc3c(n2c1N)CCCC3
InChIInChI=1S/C13H19N3S/c1-13(2,3)10-11(14)16-8-6-4-5-7-9(8)17-12(16)15-10/h4-7,14H2,1-3H3
InChIKeyGLNMXMJFELPBBE-UHFFFAOYSA-N
XLogP3.15
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine (CID 82068840) is 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine is CC(C)(C)c1nc2sc3c(n2c1N)CCCC3.
What is the InChIKey of 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is GLNMXMJFELPBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-13(2,3)10-11(14)16-8-6-4-5-7-9(8)17-12(16)15-10/h4-7,14H2,1-3H3.
What are the key properties of 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine?
2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 249.38 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 82068840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).