2,4-dimethoxy-1,3-thiazole

C5H7NO2S — CID 22342547

IUPAC2,4-dimethoxy-1,3-thiazole
SMILESCOc1csc(OC)n1
InChIInChI=1S/C5H7NO2S/c1-7-4-3-9-5(6-4)8-2/h3H,1-2H3
InChIKeyPTROXDCOULVVOD-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.16
Rot. Bonds2

About 2,4-dimethoxy-1,3-thiazole

2,4-dimethoxy-1,3-thiazole (PubChem CID 22342547) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 2,4-dimethoxy-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethoxy-1,3-thiazole
PubChem CID22342547
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name2,4-dimethoxy-1,3-thiazole
SMILESCOc1csc(OC)n1
InChIInChI=1S/C5H7NO2S/c1-7-4-3-9-5(6-4)8-2/h3H,1-2H3
InChIKeyPTROXDCOULVVOD-UHFFFAOYSA-N
XLogP1.16
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1,3-thiazole?
The IUPAC name of 2,4-dimethoxy-1,3-thiazole (CID 22342547) is 2,4-dimethoxy-1,3-thiazole.
What is the SMILES notation for 2,4-dimethoxy-1,3-thiazole?
The canonical SMILES for 2,4-dimethoxy-1,3-thiazole is COc1csc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-1,3-thiazole?
The InChIKey is PTROXDCOULVVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-7-4-3-9-5(6-4)8-2/h3H,1-2H3.
What are the key properties of 2,4-dimethoxy-1,3-thiazole?
2,4-dimethoxy-1,3-thiazole has a molecular weight of 145.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1,3-thiazole is sourced from PubChem (CID 22342547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).