4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one

C9H12N2O2S — CID 19987501

IUPAC4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2cscn2)C1=O
InChIInChI=1S/C9H12N2O2S/c1-9(2)5-13-11(8(9)12)3-7-4-14-6-10-7/h4,6H,3,5H2,1-2H3
InChIKeyJRFMNPUFLXFZJN-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.44
Rot. Bonds2

About 4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one

4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one (PubChem CID 19987501) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one
PubChem CID19987501
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2cscn2)C1=O
InChIInChI=1S/C9H12N2O2S/c1-9(2)5-13-11(8(9)12)3-7-4-14-6-10-7/h4,6H,3,5H2,1-2H3
InChIKeyJRFMNPUFLXFZJN-UHFFFAOYSA-N
XLogP1.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one?
The IUPAC name of 4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one (CID 19987501) is 4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for 4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one?
The canonical SMILES for 4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one is CC1(C)CON(Cc2cscn2)C1=O.
What is the InChIKey of 4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one?
The InChIKey is JRFMNPUFLXFZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-9(2)5-13-11(8(9)12)3-7-4-14-6-10-7/h4,6H,3,5H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one?
4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one has a molecular weight of 212.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1,3-thiazol-4-ylmethyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 19987501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).