3-ethyl-5-methoxy-1,2-thiazole

C6H9NOS — CID 126518213

IUPAC3-ethyl-5-methoxy-1,2-thiazole
SMILESCCc1cc(OC)sn1
InChIInChI=1S/C6H9NOS/c1-3-5-4-6(8-2)9-7-5/h4H,3H2,1-2H3
InChIKeyFDTKKOVMRQOHEI-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.71
Rot. Bonds2

About 3-ethyl-5-methoxy-1,2-thiazole

3-ethyl-5-methoxy-1,2-thiazole (PubChem CID 126518213) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-1,2-thiazole.

Molecular Properties

Compound Name3-ethyl-5-methoxy-1,2-thiazole
PubChem CID126518213
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name3-ethyl-5-methoxy-1,2-thiazole
SMILESCCc1cc(OC)sn1
InChIInChI=1S/C6H9NOS/c1-3-5-4-6(8-2)9-7-5/h4H,3H2,1-2H3
InChIKeyFDTKKOVMRQOHEI-UHFFFAOYSA-N
XLogP1.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-1,2-thiazole?
The IUPAC name of 3-ethyl-5-methoxy-1,2-thiazole (CID 126518213) is 3-ethyl-5-methoxy-1,2-thiazole.
What is the SMILES notation for 3-ethyl-5-methoxy-1,2-thiazole?
The canonical SMILES for 3-ethyl-5-methoxy-1,2-thiazole is CCc1cc(OC)sn1.
What is the InChIKey of 3-ethyl-5-methoxy-1,2-thiazole?
The InChIKey is FDTKKOVMRQOHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-3-5-4-6(8-2)9-7-5/h4H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-methoxy-1,2-thiazole?
3-ethyl-5-methoxy-1,2-thiazole has a molecular weight of 143.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-1,2-thiazole is sourced from PubChem (CID 126518213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).