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

C5H4F3NOS — CID 174599117

IUPAC4-methoxy-2-(trifluoromethyl)-1,3-thiazole
SMILESCOc1csc(C(F)(F)F)n1
InChIInChI=1S/C5H4F3NOS/c1-10-3-2-11-4(9-3)5(6,7)8/h2H,1H3
InChIKeyYVHNQAHECULPOI-UHFFFAOYSA-N
MW183.15 g/mol
LogP2.17
Rot. Bonds1

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

4-methoxy-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 174599117) has the molecular formula C5H4F3NOS and a molecular weight of 183.15 g/mol. Its IUPAC name is 4-methoxy-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methoxy-2-(trifluoromethyl)-1,3-thiazole
PubChem CID174599117
Molecular FormulaC5H4F3NOS
Molecular Weight183.15 g/mol
Exact Mass183.00
IUPAC Name4-methoxy-2-(trifluoromethyl)-1,3-thiazole
SMILESCOc1csc(C(F)(F)F)n1
InChIInChI=1S/C5H4F3NOS/c1-10-3-2-11-4(9-3)5(6,7)8/h2H,1H3
InChIKeyYVHNQAHECULPOI-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 4-methoxy-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-methoxy-2-(trifluoromethyl)-1,3-thiazole (CID 174599117) is 4-methoxy-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-methoxy-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-methoxy-2-(trifluoromethyl)-1,3-thiazole is COc1csc(C(F)(F)F)n1.
What is the InChIKey of 4-methoxy-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is YVHNQAHECULPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NOS/c1-10-3-2-11-4(9-3)5(6,7)8/h2H,1H3.
What are the key properties of 4-methoxy-2-(trifluoromethyl)-1,3-thiazole?
4-methoxy-2-(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 4-methoxy-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 174599117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).