6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine

C11H20N2S — CID 91530840

IUPAC6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
SMILESCC(C)(C)C1CCC2=C(C1)SC(N)N2
InChIInChI=1S/C11H20N2S/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h7,10,13H,4-6,12H2,1-3H3
InChIKeyWBVACKUJTKZHKW-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.62
Rot. Bonds

About 6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine

6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine (PubChem CID 91530840) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
PubChem CID91530840
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
SMILESCC(C)(C)C1CCC2=C(C1)SC(N)N2
InChIInChI=1S/C11H20N2S/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h7,10,13H,4-6,12H2,1-3H3
InChIKeyWBVACKUJTKZHKW-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine (CID 91530840) is 6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine is CC(C)(C)C1CCC2=C(C1)SC(N)N2.
What is the InChIKey of 6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The InChIKey is WBVACKUJTKZHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h7,10,13H,4-6,12H2,1-3H3.
What are the key properties of 6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 91530840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).