2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine

C14H20N2S — CID 84633257

IUPAC2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine
SMILESCC(C)(C)c1ccc2nc(C(C)(C)N)sc2c1
InChIInChI=1S/C14H20N2S/c1-13(2,3)9-6-7-10-11(8-9)17-12(16-10)14(4,5)15/h6-8H,15H2,1-5H3
InChIKeyWJXRGYILKMINON-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.79
Rot. Bonds1

About 2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine

2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine (PubChem CID 84633257) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine
PubChem CID84633257
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine
SMILESCC(C)(C)c1ccc2nc(C(C)(C)N)sc2c1
InChIInChI=1S/C14H20N2S/c1-13(2,3)9-6-7-10-11(8-9)17-12(16-10)14(4,5)15/h6-8H,15H2,1-5H3
InChIKeyWJXRGYILKMINON-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine?
The IUPAC name of 2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine (CID 84633257) is 2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine is CC(C)(C)c1ccc2nc(C(C)(C)N)sc2c1.
What is the InChIKey of 2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine?
The InChIKey is WJXRGYILKMINON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-13(2,3)9-6-7-10-11(8-9)17-12(16-10)14(4,5)15/h6-8H,15H2,1-5H3.
What are the key properties of 2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine?
2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine is sourced from PubChem (CID 84633257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).