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

C6H7NOS — CID 45121806

IUPAC2-(2-methyloxiran-2-yl)-1,3-thiazole
SMILESCC1(c2nccs2)CO1
InChIInChI=1S/C6H7NOS/c1-6(4-8-6)5-7-2-3-9-5/h2-3H,4H2,1H3
InChIKeyDGJPPIRCJMUOOV-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.39
Rot. Bonds1

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

2-(2-methyloxiran-2-yl)-1,3-thiazole (PubChem CID 45121806) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-(2-methyloxiran-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methyloxiran-2-yl)-1,3-thiazole
PubChem CID45121806
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name2-(2-methyloxiran-2-yl)-1,3-thiazole
SMILESCC1(c2nccs2)CO1
InChIInChI=1S/C6H7NOS/c1-6(4-8-6)5-7-2-3-9-5/h2-3H,4H2,1H3
InChIKeyDGJPPIRCJMUOOV-UHFFFAOYSA-N
XLogP1.39
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(2-methyloxiran-2-yl)-1,3-thiazole?
The IUPAC name of 2-(2-methyloxiran-2-yl)-1,3-thiazole (CID 45121806) is 2-(2-methyloxiran-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-methyloxiran-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-methyloxiran-2-yl)-1,3-thiazole is CC1(c2nccs2)CO1.
What is the InChIKey of 2-(2-methyloxiran-2-yl)-1,3-thiazole?
The InChIKey is DGJPPIRCJMUOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-6(4-8-6)5-7-2-3-9-5/h2-3H,4H2,1H3.
What are the key properties of 2-(2-methyloxiran-2-yl)-1,3-thiazole?
2-(2-methyloxiran-2-yl)-1,3-thiazole has a molecular weight of 141.19 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxiran-2-yl)-1,3-thiazole is sourced from PubChem (CID 45121806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).