2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C13H22N2S — CID 64976182

IUPAC2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCNC1CCCc2sc(C(C)(C)C)nc21
InChIInChI=1S/C13H22N2S/c1-5-14-9-7-6-8-10-11(9)15-12(16-10)13(2,3)4/h9,14H,5-8H2,1-4H3
InChIKeyJLCADTZMUGLSIX-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.43
Rot. Bonds2

About 2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64976182) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64976182
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCNC1CCCc2sc(C(C)(C)C)nc21
InChIInChI=1S/C13H22N2S/c1-5-14-9-7-6-8-10-11(9)15-12(16-10)13(2,3)4/h9,14H,5-8H2,1-4H3
InChIKeyJLCADTZMUGLSIX-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64976182) is 2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CCNC1CCCc2sc(C(C)(C)C)nc21.
What is the InChIKey of 2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is JLCADTZMUGLSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-5-14-9-7-6-8-10-11(9)15-12(16-10)13(2,3)4/h9,14H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 238.40 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64976182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).