2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine

C7H8N2O2S — CID 70627569

IUPAC2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine
SMILESC(Oc1nccs1)=C1NCCO1
InChIInChI=1S/C7H8N2O2S/c1-3-10-6(8-1)5-11-7-9-2-4-12-7/h2,4-5,8H,1,3H2
InChIKeyKUGDGIKAMJJAFM-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.94
Rot. Bonds2

About 2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine

2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine (PubChem CID 70627569) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine
PubChem CID70627569
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine
SMILESC(Oc1nccs1)=C1NCCO1
InChIInChI=1S/C7H8N2O2S/c1-3-10-6(8-1)5-11-7-9-2-4-12-7/h2,4-5,8H,1,3H2
InChIKeyKUGDGIKAMJJAFM-UHFFFAOYSA-N
XLogP0.94
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine?
The IUPAC name of 2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine (CID 70627569) is 2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine.
What is the SMILES notation for 2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine?
The canonical SMILES for 2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine is C(Oc1nccs1)=C1NCCO1.
What is the InChIKey of 2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine?
The InChIKey is KUGDGIKAMJJAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-3-10-6(8-1)5-11-7-9-2-4-12-7/h2,4-5,8H,1,3H2.
What are the key properties of 2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine?
2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine has a molecular weight of 184.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yloxymethylidene)-1,3-oxazolidine is sourced from PubChem (CID 70627569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).