2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol

C11H10N4OS — CID 107806561

IUPAC2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol
SMILESOCCc1cn(-c2ccc3ncsc3c2)nn1
InChIInChI=1S/C11H10N4OS/c16-4-3-8-6-15(14-13-8)9-1-2-10-11(5-9)17-7-12-10/h1-2,5-7,16H,3-4H2
InChIKeyLTHLCKDTYIKLLP-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.41
Rot. Bonds3

About 2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol

2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol (PubChem CID 107806561) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol
PubChem CID107806561
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol
SMILESOCCc1cn(-c2ccc3ncsc3c2)nn1
InChIInChI=1S/C11H10N4OS/c16-4-3-8-6-15(14-13-8)9-1-2-10-11(5-9)17-7-12-10/h1-2,5-7,16H,3-4H2
InChIKeyLTHLCKDTYIKLLP-UHFFFAOYSA-N
XLogP1.41
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol 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

1-[[1-(1,3-benzothiazol-6-yl)triazol-4-yl]methyl]-5-hydroxypiperidin-2-one
CID 167901987
2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol
CID 62399390
2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde
CID 142690785
2-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]ethanol
CID 82843995
2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399751
3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
CID 113374463
1-(1,3-benzothiazol-6-yl)-4-hydroxypyrazole-3-carboxylic acid
CID 107806439
3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol
CID 113374472
5-(4-propan-2-yltriazol-1-yl)-1,3-benzothiazole
CID 168797809
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]methanol
CID 55066745
[1-(6-bromo-3-pyridinyl)triazol-4-yl]methanol
CID 83854134
methyl 2-chloro-4-[4-(2-hydroxyethyl)triazol-1-yl]benzoate
CID 121399275

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol (CID 107806561) is 2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol is OCCc1cn(-c2ccc3ncsc3c2)nn1.
What is the InChIKey of 2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol?
The InChIKey is LTHLCKDTYIKLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c16-4-3-8-6-15(14-13-8)9-1-2-10-11(5-9)17-7-12-10/h1-2,5-7,16H,3-4H2.
What are the key properties of 2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol?
2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol has a molecular weight of 246.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzothiazol-6-yl)triazol-4-yl]ethanol is sourced from PubChem (CID 107806561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).