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

C14H12F3NOS — CID 141166768

IUPAC4-(methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole
SMILESCOCc1csc(C=Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H12F3NOS/c1-19-8-12-9-20-13(18-12)7-4-10-2-5-11(6-3-10)14(15,16)17/h2-7,9H,8H2,1H3
InChIKeyVQKKODOOIXNTLG-UHFFFAOYSA-N
MW299.32 g/mol
LogP4.48
Rot. Bonds4

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

4-(methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole (PubChem CID 141166768) has the molecular formula C14H12F3NOS and a molecular weight of 299.32 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole
PubChem CID141166768
Molecular FormulaC14H12F3NOS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name4-(methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole
SMILESCOCc1csc(C=Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H12F3NOS/c1-19-8-12-9-20-13(18-12)7-4-10-2-5-11(6-3-10)14(15,16)17/h2-7,9H,8H2,1H3
InChIKeyVQKKODOOIXNTLG-UHFFFAOYSA-N
XLogP4.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole?
The IUPAC name of 4-(methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole (CID 141166768) is 4-(methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole.
What is the SMILES notation for 4-(methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole?
The canonical SMILES for 4-(methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole is COCc1csc(C=Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole?
The InChIKey is VQKKODOOIXNTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS/c1-19-8-12-9-20-13(18-12)7-4-10-2-5-11(6-3-10)14(15,16)17/h2-7,9H,8H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole?
4-(methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole has a molecular weight of 299.32 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole is sourced from PubChem (CID 141166768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).