5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole

C12H11NO2S — CID 142614385

IUPAC5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole
SMILESc1ccc(-c2cncs2)c(OC[C@@H]2CO2)c1
InChIInChI=1S/C12H11NO2S/c1-2-4-11(15-7-9-6-14-9)10(3-1)12-5-13-8-16-12/h1-5,8-9H,6-7H2/t9-/m0/s1
InChIKeyUKIMGWMHFPKZIB-VIFPVBQESA-N
MW233.29 g/mol
LogP2.59
Rot. Bonds4

About 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole

5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole (PubChem CID 142614385) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole
PubChem CID142614385
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole
SMILESc1ccc(-c2cncs2)c(OC[C@@H]2CO2)c1
InChIInChI=1S/C12H11NO2S/c1-2-4-11(15-7-9-6-14-9)10(3-1)12-5-13-8-16-12/h1-5,8-9H,6-7H2/t9-/m0/s1
InChIKeyUKIMGWMHFPKZIB-VIFPVBQESA-N
XLogP2.59
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole?
The IUPAC name of 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole (CID 142614385) is 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole.
What is the SMILES notation for 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole?
The canonical SMILES for 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole is c1ccc(-c2cncs2)c(OC[C@@H]2CO2)c1.
What is the InChIKey of 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole?
The InChIKey is UKIMGWMHFPKZIB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H11NO2S/c1-2-4-11(15-7-9-6-14-9)10(3-1)12-5-13-8-16-12/h1-5,8-9H,6-7H2/t9-/m0/s1.
What are the key properties of 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole?
5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole has a molecular weight of 233.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1,3-thiazole is sourced from PubChem (CID 142614385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).