[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol

C9H13NO3S2 — CID 115090603

IUPAC[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol
SMILESO=S1(=O)CCCCC1c1ncc(CO)s1
InChIInChI=1S/C9H13NO3S2/c11-6-7-5-10-9(14-7)8-3-1-2-4-15(8,12)13/h5,8,11H,1-4,6H2
InChIKeyAROAWUSYYGEEPV-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.28
Rot. Bonds2

About [2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol

[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 115090603) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol
PubChem CID115090603
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC Name[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol
SMILESO=S1(=O)CCCCC1c1ncc(CO)s1
InChIInChI=1S/C9H13NO3S2/c11-6-7-5-10-9(14-7)8-3-1-2-4-15(8,12)13/h5,8,11H,1-4,6H2
InChIKeyAROAWUSYYGEEPV-UHFFFAOYSA-N
XLogP1.28
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1,1-dioxothian-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-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol (CID 115090603) is [2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol is O=S1(=O)CCCCC1c1ncc(CO)s1.
What is the InChIKey of [2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is AROAWUSYYGEEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c11-6-7-5-10-9(14-7)8-3-1-2-4-15(8,12)13/h5,8,11H,1-4,6H2.
What are the key properties of [2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol?
[2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 247.34 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxothian-2-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 115090603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).