5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C9H13NOS — CID 62091508

IUPAC5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2ncsc2C(O)C1
InChIInChI=1S/C9H13NOS/c1-9(2)3-6-8(7(11)4-9)12-5-10-6/h5,7,11H,3-4H2,1-2H3
InChIKeyOJEYKXBURQLACW-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.15
Rot. Bonds

About 5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 62091508) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID62091508
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2ncsc2C(O)C1
InChIInChI=1S/C9H13NOS/c1-9(2)3-6-8(7(11)4-9)12-5-10-6/h5,7,11H,3-4H2,1-2H3
InChIKeyOJEYKXBURQLACW-UHFFFAOYSA-N
XLogP2.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 62091508) is 5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CC1(C)Cc2ncsc2C(O)C1.
What is the InChIKey of 5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is OJEYKXBURQLACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-9(2)3-6-8(7(11)4-9)12-5-10-6/h5,7,11H,3-4H2,1-2H3.
What are the key properties of 5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 183.28 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62091508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).