(4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine

C8H12N2OS — CID 90134850

IUPAC(4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine
SMILESCC[C@@H]1NCO[C@H]1c1nccs1
InChIInChI=1S/C8H12N2OS/c1-2-6-7(11-5-10-6)8-9-3-4-12-8/h3-4,6-7,10H,2,5H2,1H3/t6-,7+/m0/s1
InChIKeyFAJBAEWMJYZPSG-NKWVEPMBSA-N
MW184.26 g/mol
LogP1.54
Rot. Bonds2

About (4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine

(4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine (PubChem CID 90134850) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is (4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name(4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine
PubChem CID90134850
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name(4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine
SMILESCC[C@@H]1NCO[C@H]1c1nccs1
InChIInChI=1S/C8H12N2OS/c1-2-6-7(11-5-10-6)8-9-3-4-12-8/h3-4,6-7,10H,2,5H2,1H3/t6-,7+/m0/s1
InChIKeyFAJBAEWMJYZPSG-NKWVEPMBSA-N
XLogP1.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine?
The IUPAC name of (4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine (CID 90134850) is (4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine.
What is the SMILES notation for (4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine?
The canonical SMILES for (4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine is CC[C@@H]1NCO[C@H]1c1nccs1.
What is the InChIKey of (4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine?
The InChIKey is FAJBAEWMJYZPSG-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-6-7(11-5-10-6)8-9-3-4-12-8/h3-4,6-7,10H,2,5H2,1H3/t6-,7+/m0/s1.
What are the key properties of (4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine?
(4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine has a molecular weight of 184.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine is sourced from PubChem (CID 90134850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).