3-(oxiran-2-ylmethyl)-1,2-thiazole

C6H7NOS — CID 130752195

IUPAC3-(oxiran-2-ylmethyl)-1,2-thiazole
SMILESc1cc(CC2CO2)ns1
InChIInChI=1S/C6H7NOS/c1-2-9-7-5(1)3-6-4-8-6/h1-2,6H,3-4H2
InChIKeyVVVSXROUKCVJOU-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.08
Rot. Bonds2

About 3-(oxiran-2-ylmethyl)-1,2-thiazole

3-(oxiran-2-ylmethyl)-1,2-thiazole (PubChem CID 130752195) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-(oxiran-2-ylmethyl)-1,2-thiazole
PubChem CID130752195
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name3-(oxiran-2-ylmethyl)-1,2-thiazole
SMILESc1cc(CC2CO2)ns1
InChIInChI=1S/C6H7NOS/c1-2-9-7-5(1)3-6-4-8-6/h1-2,6H,3-4H2
InChIKeyVVVSXROUKCVJOU-UHFFFAOYSA-N
XLogP1.08
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.08
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 3-(oxiran-2-ylmethyl)-1,2-thiazole?
The IUPAC name of 3-(oxiran-2-ylmethyl)-1,2-thiazole (CID 130752195) is 3-(oxiran-2-ylmethyl)-1,2-thiazole.
What is the SMILES notation for 3-(oxiran-2-ylmethyl)-1,2-thiazole?
The canonical SMILES for 3-(oxiran-2-ylmethyl)-1,2-thiazole is c1cc(CC2CO2)ns1.
What is the InChIKey of 3-(oxiran-2-ylmethyl)-1,2-thiazole?
The InChIKey is VVVSXROUKCVJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-2-9-7-5(1)3-6-4-8-6/h1-2,6H,3-4H2.
What are the key properties of 3-(oxiran-2-ylmethyl)-1,2-thiazole?
3-(oxiran-2-ylmethyl)-1,2-thiazole has a molecular weight of 141.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethyl)-1,2-thiazole is sourced from PubChem (CID 130752195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).