2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol

C13H11NOS — CID 3638079

IUPAC2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol
SMILESOc1ccccc1C1Nc2ccccc2S1
InChIInChI=1S/C13H11NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,13-15H
InChIKeyOVJLMQOPYWHKRH-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.61
Rot. Bonds1

About 2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol

2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol (PubChem CID 3638079) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol
PubChem CID3638079
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol
SMILESOc1ccccc1C1Nc2ccccc2S1
InChIInChI=1S/C13H11NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,13-15H
InChIKeyOVJLMQOPYWHKRH-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

4-Bromo-2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol
CID 233797
2-[2-(4-Fluorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-yl]phenol
CID 24850350
2-(2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-yl)phenol
CID 24850349
2-[[4-(4-Ethylsulfanylphenyl)anilino]methyl]phenol
CID 122182753
2-[4-(dimethylamino)phenyl]-3-methyl-2H-1,3-benzothiazol-6-ol
CID 44629457
7-(Aminomethyl)-2-methyl-2,3-dihydro-1,3-benzothiazol-6-ol;dihydrochloride
CID 90664887
2-((2-((2-Hydroxybenzyl)amino)phenyl)thio)-N-(4-methylphenyl)acetamide
CID 4586808
1-(2,3-Dihydrobenzothiazol-2-yl)-4-methoxybenzene
CID 3424364
2-(2H-Benzothiazol-2-yl)-6-(dodecyl)-4-methylphenol
CID 22715278
4-(2-Methylheptan-2-yl)-2-[5-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazol-2-yl]phenol
CID 70171461
2-[5-(Trifluoromethyl)-2,3-dihydro-1,3-benzothiazol-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 70171462
2-(4-Fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol
CID 143479577

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol (CID 3638079) is 2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol is Oc1ccccc1C1Nc2ccccc2S1.
What is the InChIKey of 2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol?
The InChIKey is OVJLMQOPYWHKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,13-15H.
What are the key properties of 2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol?
2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol has a molecular weight of 229.30 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 3638079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).