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

C8H11NOS — CID 14913371

IUPAC2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCc1nc2c(s1)C(O)CCC2
InChIInChI=1S/C8H11NOS/c1-5-9-6-3-2-4-7(10)8(6)11-5/h7,10H,2-4H2,1H3
InChIKeyVRMWSMYTTSJLHI-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.82
Rot. Bonds

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

2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 14913371) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID14913371
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCc1nc2c(s1)C(O)CCC2
InChIInChI=1S/C8H11NOS/c1-5-9-6-3-2-4-7(10)8(6)11-5/h7,10H,2-4H2,1H3
InChIKeyVRMWSMYTTSJLHI-UHFFFAOYSA-N
XLogP1.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4,5,6,7-tetrahydro-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 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 14913371) is 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is Cc1nc2c(s1)C(O)CCC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is VRMWSMYTTSJLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-5-9-6-3-2-4-7(10)8(6)11-5/h7,10H,2-4H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 169.25 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 14913371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).