2-methoxy-4-(trifluoromethyl)-1,3-thiazole

C5H4F3NOS — CID 59710653

IUPAC2-methoxy-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H4F3NOS/c1-10-4-9-3(2-11-4)5(6,7)8/h2H,1H3
InChIKeyHYOGEKOIRKEDET-UHFFFAOYSA-N
MW183.15 g/mol
LogP2.17
Rot. Bonds1

About 2-methoxy-4-(trifluoromethyl)-1,3-thiazole

2-methoxy-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 59710653) has the molecular formula C5H4F3NOS and a molecular weight of 183.15 g/mol. Its IUPAC name is 2-methoxy-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methoxy-4-(trifluoromethyl)-1,3-thiazole
PubChem CID59710653
Molecular FormulaC5H4F3NOS
Molecular Weight183.15 g/mol
Exact Mass183.00
IUPAC Name2-methoxy-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H4F3NOS/c1-10-4-9-3(2-11-4)5(6,7)8/h2H,1H3
InChIKeyHYOGEKOIRKEDET-UHFFFAOYSA-N
XLogP2.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-methoxy-4-(trifluoromethyl)-1,3-thiazole (CID 59710653) is 2-methoxy-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-methoxy-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-methoxy-4-(trifluoromethyl)-1,3-thiazole is COc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-methoxy-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is HYOGEKOIRKEDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NOS/c1-10-4-9-3(2-11-4)5(6,7)8/h2H,1H3.
What are the key properties of 2-methoxy-4-(trifluoromethyl)-1,3-thiazole?
2-methoxy-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 183.15 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 59710653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).