5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole

C12H10F3NOS — CID 67819304

IUPAC5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole
SMILESCOc1cc(C)ccc1-c1cc(C(F)(F)F)ns1
InChIInChI=1S/C12H10F3NOS/c1-7-3-4-8(9(5-7)17-2)10-6-11(16-18-10)12(13,14)15/h3-6H,1-2H3
InChIKeyMOVDNJFARUQJOA-UHFFFAOYSA-N
MW273.28 g/mol
LogP4.15
Rot. Bonds2

About 5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole

5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole (PubChem CID 67819304) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is 5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole
PubChem CID67819304
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole
SMILESCOc1cc(C)ccc1-c1cc(C(F)(F)F)ns1
InChIInChI=1S/C12H10F3NOS/c1-7-3-4-8(9(5-7)17-2)10-6-11(16-18-10)12(13,14)15/h3-6H,1-2H3
InChIKeyMOVDNJFARUQJOA-UHFFFAOYSA-N
XLogP4.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of 5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole (CID 67819304) is 5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for 5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for 5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole is COc1cc(C)ccc1-c1cc(C(F)(F)F)ns1.
What is the InChIKey of 5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole?
The InChIKey is MOVDNJFARUQJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c1-7-3-4-8(9(5-7)17-2)10-6-11(16-18-10)12(13,14)15/h3-6H,1-2H3.
What are the key properties of 5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole?
5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole has a molecular weight of 273.28 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-methylphenyl)-3-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 67819304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).