[2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol

C12H11NO2S2 — CID 106602116

IUPAC[2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(C2CSc3ccccc3O2)s1
InChIInChI=1S/C12H11NO2S2/c14-6-8-5-13-12(17-8)10-7-16-11-4-2-1-3-9(11)15-10/h1-5,10,14H,6-7H2
InChIKeyVHWNTNJJFHYBOR-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.86
Rot. Bonds2

About [2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol

[2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 106602116) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol
PubChem CID106602116
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC Name[2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(C2CSc3ccccc3O2)s1
InChIInChI=1S/C12H11NO2S2/c14-6-8-5-13-12(17-8)10-7-16-11-4-2-1-3-9(11)15-10/h1-5,10,14H,6-7H2
InChIKeyVHWNTNJJFHYBOR-UHFFFAOYSA-N
XLogP2.86
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol 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-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol (CID 106602116) is [2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol is OCc1cnc(C2CSc3ccccc3O2)s1.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is VHWNTNJJFHYBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S2/c14-6-8-5-13-12(17-8)10-7-16-11-4-2-1-3-9(11)15-10/h1-5,10,14H,6-7H2.
What are the key properties of [2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol?
[2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 265.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106602116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).