methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate

C11H7F3N2O2S — CID 166448386

IUPACmethyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C11H7F3N2O2S/c1-18-10(17)7-5-19-9(16-7)6-2-3-8(15-4-6)11(12,13)14/h2-5H,1H3
InChIKeyMJMIFMFGQWYHAC-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.01
Rot. Bonds2

About methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate

methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate (PubChem CID 166448386) has the molecular formula C11H7F3N2O2S and a molecular weight of 288.25 g/mol. Its IUPAC name is methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
PubChem CID166448386
Molecular FormulaC11H7F3N2O2S
Molecular Weight288.25 g/mol
Exact Mass288.02
IUPAC Namemethyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C11H7F3N2O2S/c1-18-10(17)7-5-19-9(16-7)6-2-3-8(15-4-6)11(12,13)14/h2-5H,1H3
InChIKeyMJMIFMFGQWYHAC-UHFFFAOYSA-N
XLogP3.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(6-bromo-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 169498453
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329
ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 104822748
1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]ethanone
CID 2746913
methyl 3-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 141441800
methyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 115422554
methyl 2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 103372618
methyl 6-(aminomethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate;hydrochloride
CID 118008295
ethane;methyl 6-cyano-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxylate
CID 144826384
N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 57335226
methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 90415028
methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-5-carboxylate
CID 59424798

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate (CID 166448386) is methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-c2ccc(C(F)(F)F)nc2)n1.
What is the InChIKey of methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
The InChIKey is MJMIFMFGQWYHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2S/c1-18-10(17)7-5-19-9(16-7)6-2-3-8(15-4-6)11(12,13)14/h2-5H,1H3.
What are the key properties of methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate?
methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate has a molecular weight of 288.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 166448386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).