6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine

C12H22N2S — CID 91026948

IUPAC6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
SMILESCCC(C)(C)C1CCC2=C(C1)SC(N)N2
InChIInChI=1S/C12H22N2S/c1-4-12(2,3)8-5-6-9-10(7-8)15-11(13)14-9/h8,11,14H,4-7,13H2,1-3H3
InChIKeyISIVIVUTPGOPTE-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.01
Rot. Bonds2

About 6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine

6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine (PubChem CID 91026948) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
PubChem CID91026948
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
SMILESCCC(C)(C)C1CCC2=C(C1)SC(N)N2
InChIInChI=1S/C12H22N2S/c1-4-12(2,3)8-5-6-9-10(7-8)15-11(13)14-9/h8,11,14H,4-7,13H2,1-3H3
InChIKeyISIVIVUTPGOPTE-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine (CID 91026948) is 6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine is CCC(C)(C)C1CCC2=C(C1)SC(N)N2.
What is the InChIKey of 6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The InChIKey is ISIVIVUTPGOPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-4-12(2,3)8-5-6-9-10(7-8)15-11(13)14-9/h8,11,14H,4-7,13H2,1-3H3.
What are the key properties of 6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-yl)-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 91026948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).