2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C15H26N2OS — CID 55112269

IUPAC2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCCCN(CCCC)c1nc2c(s1)C(O)CCC2
InChIInChI=1S/C15H26N2OS/c1-3-5-10-17(11-6-4-2)15-16-12-8-7-9-13(18)14(12)19-15/h13,18H,3-11H2,1-2H3
InChIKeyVAZDITLICPUBBO-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.92
Rot. Bonds7

About 2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 55112269) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID55112269
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCCCN(CCCC)c1nc2c(s1)C(O)CCC2
InChIInChI=1S/C15H26N2OS/c1-3-5-10-17(11-6-4-2)15-16-12-8-7-9-13(18)14(12)19-15/h13,18H,3-11H2,1-2H3
InChIKeyVAZDITLICPUBBO-UHFFFAOYSA-N
XLogP3.92
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 55112269) is 2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CCCCN(CCCC)c1nc2c(s1)C(O)CCC2.
What is the InChIKey of 2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is VAZDITLICPUBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-3-5-10-17(11-6-4-2)15-16-12-8-7-9-13(18)14(12)19-15/h13,18H,3-11H2,1-2H3.
What are the key properties of 2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 282.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 55112269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).