(4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one

C8H10N2O2S — CID 90179096

IUPAC(4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@H](c2nccs2)OC(=O)N1C
InChIInChI=1S/C8H10N2O2S/c1-5-6(7-9-3-4-13-7)12-8(11)10(5)2/h3-6H,1-2H3/t5-,6+/m0/s1
InChIKeyLJOIBAZGZLOOKU-NTSWFWBYSA-N
MW198.25 g/mol
LogP1.65
Rot. Bonds1

About (4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one

(4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one (PubChem CID 90179096) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is (4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
PubChem CID90179096
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name(4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@H](c2nccs2)OC(=O)N1C
InChIInChI=1S/C8H10N2O2S/c1-5-6(7-9-3-4-13-7)12-8(11)10(5)2/h3-6H,1-2H3/t5-,6+/m0/s1
InChIKeyLJOIBAZGZLOOKU-NTSWFWBYSA-N
XLogP1.65
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one (CID 90179096) is (4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one is C[C@H]1[C@H](c2nccs2)OC(=O)N1C.
What is the InChIKey of (4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is LJOIBAZGZLOOKU-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-5-6(7-9-3-4-13-7)12-8(11)10(5)2/h3-6H,1-2H3/t5-,6+/m0/s1.
What are the key properties of (4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
(4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 198.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3,4-dimethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90179096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).