2-methoxy-1,3-thiazole

C4H5NOS — CID 575451

IUPAC2-methoxy-1,3-thiazole
SMILESCOc1nccs1
InChIInChI=1S/C4H5NOS/c1-6-4-5-2-3-7-4/h2-3H,1H3
InChIKeyMJJRDTKNLLMJDJ-UHFFFAOYSA-N
MW115.16 g/mol
LogP1.15
Rot. Bonds1

About 2-methoxy-1,3-thiazole

2-methoxy-1,3-thiazole (PubChem CID 575451) has the molecular formula C4H5NOS and a molecular weight of 115.16 g/mol. Its IUPAC name is 2-methoxy-1,3-thiazole.

Molecular Properties

Compound Name2-methoxy-1,3-thiazole
PubChem CID575451
Molecular FormulaC4H5NOS
Molecular Weight115.16 g/mol
Exact Mass115.01
IUPAC Name2-methoxy-1,3-thiazole
SMILESCOc1nccs1
InChIInChI=1S/C4H5NOS/c1-6-4-5-2-3-7-4/h2-3H,1H3
InChIKeyMJJRDTKNLLMJDJ-UHFFFAOYSA-N
XLogP1.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-thiazole?
The IUPAC name of 2-methoxy-1,3-thiazole (CID 575451) is 2-methoxy-1,3-thiazole.
What is the SMILES notation for 2-methoxy-1,3-thiazole?
The canonical SMILES for 2-methoxy-1,3-thiazole is COc1nccs1.
What is the InChIKey of 2-methoxy-1,3-thiazole?
The InChIKey is MJJRDTKNLLMJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOS/c1-6-4-5-2-3-7-4/h2-3H,1H3.
What are the key properties of 2-methoxy-1,3-thiazole?
2-methoxy-1,3-thiazole has a molecular weight of 115.16 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-thiazole is sourced from PubChem (CID 575451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).