4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C12H10F3NOS — CID 67275702

IUPAC4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCOCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H10F3NOS/c1-17-6-10-7-18-11(16-10)8-2-4-9(5-3-8)12(13,14)15/h2-5,7H,6H2,1H3
InChIKeyAFNPAETXQJSMDD-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.98
Rot. Bonds3

About 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 67275702) has the molecular formula C12H10F3NOS and a molecular weight of 273.28 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID67275702
Molecular FormulaC12H10F3NOS
Molecular Weight273.28 g/mol
Exact Mass273.04
IUPAC Name4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCOCc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H10F3NOS/c1-17-6-10-7-18-11(16-10)8-2-4-9(5-3-8)12(13,14)15/h2-5,7H,6H2,1H3
InChIKeyAFNPAETXQJSMDD-UHFFFAOYSA-N
XLogP3.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 67275702) is 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is COCc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is AFNPAETXQJSMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NOS/c1-17-6-10-7-18-11(16-10)8-2-4-9(5-3-8)12(13,14)15/h2-5,7H,6H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 273.28 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 67275702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).