2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol

C7H9NO3S2 — CID 130501450

IUPAC2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol
SMILESO=S1(=O)CCC(c2nc(O)cs2)C1
InChIInChI=1S/C7H9NO3S2/c9-6-3-12-7(8-6)5-1-2-13(10,11)4-5/h3,5,9H,1-2,4H2
InChIKeyKFOFDAVGNHCAAR-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.75
Rot. Bonds1

About 2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol

2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol (PubChem CID 130501450) has the molecular formula C7H9NO3S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol
PubChem CID130501450
Molecular FormulaC7H9NO3S2
Molecular Weight219.29 g/mol
Exact Mass219.00
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol
SMILESO=S1(=O)CCC(c2nc(O)cs2)C1
InChIInChI=1S/C7H9NO3S2/c9-6-3-12-7(8-6)5-1-2-13(10,11)4-5/h3,5,9H,1-2,4H2
InChIKeyKFOFDAVGNHCAAR-UHFFFAOYSA-N
XLogP0.75
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol (CID 130501450) is 2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol is O=S1(=O)CCC(c2nc(O)cs2)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol?
The InChIKey is KFOFDAVGNHCAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S2/c9-6-3-12-7(8-6)5-1-2-13(10,11)4-5/h3,5,9H,1-2,4H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol?
2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol has a molecular weight of 219.29 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 130501450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).