5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

C10H15NOS — CID 129296488

IUPAC5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCC(C)C1CCc2scnc2C1O
InChIInChI=1S/C10H15NOS/c1-6(2)7-3-4-8-9(10(7)12)11-5-13-8/h5-7,10,12H,3-4H2,1-2H3
InChIKeyIHPGMNCWWHFRLZ-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.39
Rot. Bonds1

About 5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol

5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 129296488) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID129296488
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCC(C)C1CCc2scnc2C1O
InChIInChI=1S/C10H15NOS/c1-6(2)7-3-4-8-9(10(7)12)11-5-13-8/h5-7,10,12H,3-4H2,1-2H3
InChIKeyIHPGMNCWWHFRLZ-UHFFFAOYSA-N
XLogP2.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-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-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 129296488) is 5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is CC(C)C1CCc2scnc2C1O.
What is the InChIKey of 5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is IHPGMNCWWHFRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-6(2)7-3-4-8-9(10(7)12)11-5-13-8/h5-7,10,12H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 197.30 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 129296488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).