2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride

C12H7ClF3NO2S — CID 15104281

IUPAC2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride
SMILESCc1nc(Oc2cccc(C(F)(F)F)c2)c(C(=O)Cl)s1
InChIInChI=1S/C12H7ClF3NO2S/c1-6-17-11(9(20-6)10(13)18)19-8-4-2-3-7(5-8)12(14,15)16/h2-5H,1H3
InChIKeyRTPIWZFBFAPLEM-UHFFFAOYSA-N
MW321.71 g/mol
LogP4.64
Rot. Bonds3

About 2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride

2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride (PubChem CID 15104281) has the molecular formula C12H7ClF3NO2S and a molecular weight of 321.71 g/mol. Its IUPAC name is 2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride.

Molecular Properties

Compound Name2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride
PubChem CID15104281
Molecular FormulaC12H7ClF3NO2S
Molecular Weight321.71 g/mol
Exact Mass320.98
IUPAC Name2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride
SMILESCc1nc(Oc2cccc(C(F)(F)F)c2)c(C(=O)Cl)s1
InChIInChI=1S/C12H7ClF3NO2S/c1-6-17-11(9(20-6)10(13)18)19-8-4-2-3-7(5-8)12(14,15)16/h2-5H,1H3
InChIKeyRTPIWZFBFAPLEM-UHFFFAOYSA-N
XLogP4.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-propan-2-yl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 19991840
ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 66825644
3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 57090864
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930
(4-amino-2-methyl-1,3-thiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 142830561
[4,6-dimethyl-2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
CID 61255509
3-methoxy-2-[2-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]but-2-enoic acid
CID 139654305
2-[2-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]butanoic acid
CID 139654304
3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 6930221
2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxylic acid
CID 149120957
6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 20963306
5-methoxy-3-methyl-2-[3-(trifluoromethyl)phenoxy]benzoic acid
CID 67832312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride?
The IUPAC name of 2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride (CID 15104281) is 2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride.
What is the SMILES notation for 2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride?
The canonical SMILES for 2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride is Cc1nc(Oc2cccc(C(F)(F)F)c2)c(C(=O)Cl)s1.
What is the InChIKey of 2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride?
The InChIKey is RTPIWZFBFAPLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO2S/c1-6-17-11(9(20-6)10(13)18)19-8-4-2-3-7(5-8)12(14,15)16/h2-5H,1H3.
What are the key properties of 2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride?
2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride has a molecular weight of 321.71 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carbonyl chloride is sourced from PubChem (CID 15104281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).