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

C9H12N2O2S — CID 70899626

IUPAC(4S,5R)-3-ethyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)O[C@@H](c2nccs2)[C@@H]1C
InChIInChI=1S/C9H12N2O2S/c1-3-11-6(2)7(13-9(11)12)8-10-4-5-14-8/h4-7H,3H2,1-2H3/t6-,7+/m0/s1
InChIKeyIAUWWDWCARNSRG-NKWVEPMBSA-N
MW212.27 g/mol
LogP2.04
Rot. Bonds2

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

(4S,5R)-3-ethyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one (PubChem CID 70899626) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is (4S,5R)-3-ethyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-ethyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
PubChem CID70899626
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name(4S,5R)-3-ethyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)O[C@@H](c2nccs2)[C@@H]1C
InChIInChI=1S/C9H12N2O2S/c1-3-11-6(2)7(13-9(11)12)8-10-4-5-14-8/h4-7H,3H2,1-2H3/t6-,7+/m0/s1
InChIKeyIAUWWDWCARNSRG-NKWVEPMBSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-ethyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-ethyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one (CID 70899626) is (4S,5R)-3-ethyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-ethyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-ethyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one is CCN1C(=O)O[C@@H](c2nccs2)[C@@H]1C.
What is the InChIKey of (4S,5R)-3-ethyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is IAUWWDWCARNSRG-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-3-11-6(2)7(13-9(11)12)8-10-4-5-14-8/h4-7H,3H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (4S,5R)-3-ethyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
(4S,5R)-3-ethyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 212.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-ethyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 70899626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).