2-(3-methyloxiran-2-yl)oxy-1,3-thiazole

C6H7NO2S — CID 21392638

IUPAC2-(3-methyloxiran-2-yl)oxy-1,3-thiazole
SMILESCC1OC1Oc1nccs1
InChIInChI=1S/C6H7NO2S/c1-4-5(8-4)9-6-7-2-3-10-6/h2-5H,1H3
InChIKeyQFQCNFAZVSRBSH-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.27
Rot. Bonds2

About 2-(3-methyloxiran-2-yl)oxy-1,3-thiazole

2-(3-methyloxiran-2-yl)oxy-1,3-thiazole (PubChem CID 21392638) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-(3-methyloxiran-2-yl)oxy-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methyloxiran-2-yl)oxy-1,3-thiazole
PubChem CID21392638
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name2-(3-methyloxiran-2-yl)oxy-1,3-thiazole
SMILESCC1OC1Oc1nccs1
InChIInChI=1S/C6H7NO2S/c1-4-5(8-4)9-6-7-2-3-10-6/h2-5H,1H3
InChIKeyQFQCNFAZVSRBSH-UHFFFAOYSA-N
XLogP1.27
TPSA34.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.27
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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Related Compounds

2-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole
CID 71400311
1,2-Epoxy-3-(thiazol-2-oxy)-propane
CID 12399817
1-(1,3-Thiazol-2-yloxy)propan-1-ol
CID 19979323
2-Methyloxirane;1,3-thiazole
CID 20328499
1-(1,3-Thiazol-2-yloxy)propan-2-ol
CID 20328596
2-Isopropoxythiazole
CID 21334097
2-(2-Methoxyethoxy)-1,3-thiazole
CID 45121816
2-(2-Propan-2-yloxyethoxy)-1,3-thiazole
CID 53888354
2-Cyclopropyloxy-1,3-thiazole
CID 57816681
Ethyl 1,3-thiazol-2-yl carbonate
CID 70098250
2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3-thiazole
CID 10242386
2-(2,2-Diethoxyethylsulfanyl)-1,3-thiazole
CID 63629444

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyloxiran-2-yl)oxy-1,3-thiazole?
The IUPAC name of 2-(3-methyloxiran-2-yl)oxy-1,3-thiazole (CID 21392638) is 2-(3-methyloxiran-2-yl)oxy-1,3-thiazole.
What is the SMILES notation for 2-(3-methyloxiran-2-yl)oxy-1,3-thiazole?
The canonical SMILES for 2-(3-methyloxiran-2-yl)oxy-1,3-thiazole is CC1OC1Oc1nccs1.
What is the InChIKey of 2-(3-methyloxiran-2-yl)oxy-1,3-thiazole?
The InChIKey is QFQCNFAZVSRBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4-5(8-4)9-6-7-2-3-10-6/h2-5H,1H3.
What are the key properties of 2-(3-methyloxiran-2-yl)oxy-1,3-thiazole?
2-(3-methyloxiran-2-yl)oxy-1,3-thiazole has a molecular weight of 157.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyloxiran-2-yl)oxy-1,3-thiazole is sourced from PubChem (CID 21392638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).