2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol

C14H11NOS — CID 10824205

IUPAC2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol
SMILES[2H]C([2H])([2H])c1ccc(-c2nc3c(O)cccc3s2)cc1
InChIInChI=1S/C14H11NOS/c1-9-5-7-10(8-6-9)14-15-13-11(16)3-2-4-12(13)17-14/h2-8,16H,1H3/i1D3
InChIKeyXYVBFHRLFOBGMT-FIBGUPNXSA-N
MW244.33 g/mol
LogP3.98
Rot. Bonds2

About 2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol

2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol (PubChem CID 10824205) has the molecular formula C14H11NOS and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol
PubChem CID10824205
Molecular FormulaC14H11NOS
Molecular Weight244.33 g/mol
Exact Mass244.07
IUPAC Name2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol
SMILES[2H]C([2H])([2H])c1ccc(-c2nc3c(O)cccc3s2)cc1
InChIInChI=1S/C14H11NOS/c1-9-5-7-10(8-6-9)14-15-13-11(16)3-2-4-12(13)17-14/h2-8,16H,1H3/i1D3
InChIKeyXYVBFHRLFOBGMT-FIBGUPNXSA-N
XLogP3.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(trideuteriomethyl)phenyl]-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 2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol?
The IUPAC name of 2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol (CID 10824205) is 2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol is [2H]C([2H])([2H])c1ccc(-c2nc3c(O)cccc3s2)cc1.
What is the InChIKey of 2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol?
The InChIKey is XYVBFHRLFOBGMT-FIBGUPNXSA-N. The full InChI is InChI=1S/C14H11NOS/c1-9-5-7-10(8-6-9)14-15-13-11(16)3-2-4-12(13)17-14/h2-8,16H,1H3/i1D3.
What are the key properties of 2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol?
2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol has a molecular weight of 244.33 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trideuteriomethyl)phenyl]-1,3-benzothiazol-4-ol is sourced from PubChem (CID 10824205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).