6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole

C17H28N2S — CID 62541069

IUPAC6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCCC(C)(C)C1CCc2nc(C3CCCCN3)sc2C1
InChIInChI=1S/C17H28N2S/c1-4-17(2,3)12-8-9-13-15(11-12)20-16(19-13)14-7-5-6-10-18-14/h12,14,18H,4-11H2,1-3H3
InChIKeyOVZDSAJSGQBLQO-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.50
Rot. Bonds3

About 6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole

6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 62541069) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

Compound Name6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
PubChem CID62541069
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCCC(C)(C)C1CCc2nc(C3CCCCN3)sc2C1
InChIInChI=1S/C17H28N2S/c1-4-17(2,3)12-8-9-13-15(11-12)20-16(19-13)14-7-5-6-10-18-14/h12,14,18H,4-11H2,1-3H3
InChIKeyOVZDSAJSGQBLQO-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The IUPAC name of 6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 62541069) is 6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole.
What is the SMILES notation for 6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The canonical SMILES for 6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole is CCC(C)(C)C1CCc2nc(C3CCCCN3)sc2C1.
What is the InChIKey of 6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The InChIKey is OVZDSAJSGQBLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-4-17(2,3)12-8-9-13-15(11-12)20-16(19-13)14-7-5-6-10-18-14/h12,14,18H,4-11H2,1-3H3.
What are the key properties of 6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?
6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 292.49 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 62541069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).