4-methoxy-1,3-thiazole

C4H5NOS — CID 18622380

IUPAC4-methoxy-1,3-thiazole
SMILESCOc1cscn1
InChIInChI=1S/C4H5NOS/c1-6-4-2-7-3-5-4/h2-3H,1H3
InChIKeyGLCMZDPRGOZERZ-UHFFFAOYSA-N
MW115.16 g/mol
LogP1.15
Rot. Bonds1

About 4-methoxy-1,3-thiazole

4-methoxy-1,3-thiazole (PubChem CID 18622380) has the molecular formula C4H5NOS and a molecular weight of 115.16 g/mol. Its IUPAC name is 4-methoxy-1,3-thiazole.

Molecular Properties

Compound Name4-methoxy-1,3-thiazole
PubChem CID18622380
Molecular FormulaC4H5NOS
Molecular Weight115.16 g/mol
Exact Mass115.01
IUPAC Name4-methoxy-1,3-thiazole
SMILESCOc1cscn1
InChIInChI=1S/C4H5NOS/c1-6-4-2-7-3-5-4/h2-3H,1H3
InChIKeyGLCMZDPRGOZERZ-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 4-methoxy-1,3-thiazole?
The IUPAC name of 4-methoxy-1,3-thiazole (CID 18622380) is 4-methoxy-1,3-thiazole.
What is the SMILES notation for 4-methoxy-1,3-thiazole?
The canonical SMILES for 4-methoxy-1,3-thiazole is COc1cscn1.
What is the InChIKey of 4-methoxy-1,3-thiazole?
The InChIKey is GLCMZDPRGOZERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOS/c1-6-4-2-7-3-5-4/h2-3H,1H3.
What are the key properties of 4-methoxy-1,3-thiazole?
4-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 4-methoxy-1,3-thiazole is sourced from PubChem (CID 18622380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).