2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole

C12H10F3NO2S — CID 2745959

IUPAC2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ccc(OCc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C12H10F3NO2S/c1-17-8-2-4-9(5-3-8)18-6-11-16-10(7-19-11)12(13,14)15/h2-5,7H,6H2,1H3
InChIKeyZWKCJPHCAAZCRQ-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.75
Rot. Bonds4

About 2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole

2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 2745959) has the molecular formula C12H10F3NO2S and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID2745959
Molecular FormulaC12H10F3NO2S
Molecular Weight289.28 g/mol
Exact Mass289.04
IUPAC Name2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ccc(OCc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C12H10F3NO2S/c1-17-8-2-4-9(5-3-8)18-6-11-16-10(7-19-11)12(13,14)15/h2-5,7H,6H2,1H3
InChIKeyZWKCJPHCAAZCRQ-UHFFFAOYSA-N
XLogP3.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[(4-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 2744008
1-[2-(Phenoxymethyl)-4-thiazolyl]ethanone
CID 2744803
4-(4-Methoxy-phenoxymethyl)-thiazol-2-ylamine
CID 3870776
2-(Phenoxymethyl)thiazole-4-carbaldehyde
CID 28287671
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine
CID 50955634
tert-butyl 4-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 156013853
4-[(4-Fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 46083326
4-[(2-Methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
CID 2806222
4-(Chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 7131053
2-[(4-Fluorophenoxy)methyl]-4-thiazoleacetic acid
CID 16227704
2-((4-Fluorophenoxy)methyl)-1,3-thiazole-4-carboxylic acid
CID 17541243
2-(4-Methoxyphenoxymethyl)-1,3-thiazole-4-carbaldehyde
CID 28287675

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole (CID 2745959) is 2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole is COc1ccc(OCc2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ZWKCJPHCAAZCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2S/c1-17-8-2-4-9(5-3-8)18-6-11-16-10(7-19-11)12(13,14)15/h2-5,7H,6H2,1H3.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 289.28 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 2745959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).