methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C7H6F3NO2S — CID 2769439

IUPACmethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(C)nc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c1-3-11-5(7(8,9)10)4(14-3)6(12)13-2/h1-2H3
InChIKeyDPUUHXWDJXFEPT-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.26
Rot. Bonds1

About methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 2769439) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID2769439
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Namemethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(C)nc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2S/c1-3-11-5(7(8,9)10)4(14-3)6(12)13-2/h1-2H3
InChIKeyDPUUHXWDJXFEPT-UHFFFAOYSA-N
XLogP2.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl-1,3-thiazole-5-carboxylic acid
CID 736488
Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate
CID 2824057
5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester
CID 298610
Ethyl 2,4-dimethylthiazole-5-carboxylate
CID 603810
2-Ethyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 13835292
Ethyl 2-[(2-ethoxy-2-oxoethyl)thio]-4-methyl-1,3-thiazole-5-carboxylate
CID 2148129
Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate
CID 594903
Ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 1235240
2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 1486080
2-Bromo-4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester
CID 13282759
4-Methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 10899900
Methyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate
CID 13015616

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 2769439) is methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(C)nc1C(F)(F)F.
What is the InChIKey of methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is DPUUHXWDJXFEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c1-3-11-5(7(8,9)10)4(14-3)6(12)13-2/h1-2H3.
What are the key properties of methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 225.19 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2769439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).