methyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate

C14H11F3N2O4S — CID 24632476

IUPACmethyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)s1
InChIInChI=1S/C14H11F3N2O4S/c1-22-13(21)9-3-5-11(24-9)19-12(20)8-2-4-10(18-6-8)23-7-14(15,16)17/h2-6H,7H2,1H3,(H,19,20)
InChIKeyKZETXITYAZNHFY-UHFFFAOYSA-N
MW360.31 g/mol
LogP3.12
Rot. Bonds5

About methyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate

methyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 24632476) has the molecular formula C14H11F3N2O4S and a molecular weight of 360.31 g/mol. Its IUPAC name is methyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate
PubChem CID24632476
Molecular FormulaC14H11F3N2O4S
Molecular Weight360.31 g/mol
Exact Mass360.04
IUPAC Namemethyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)s1
InChIInChI=1S/C14H11F3N2O4S/c1-22-13(21)9-3-5-11(24-9)19-12(20)8-2-4-10(18-6-8)23-7-14(15,16)17/h2-6H,7H2,1H3,(H,19,20)
InChIKeyKZETXITYAZNHFY-UHFFFAOYSA-N
XLogP3.12
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate (CID 24632476) is methyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)s1.
What is the InChIKey of methyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is KZETXITYAZNHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O4S/c1-22-13(21)9-3-5-11(24-9)19-12(20)8-2-4-10(18-6-8)23-7-14(15,16)17/h2-6H,7H2,1H3,(H,19,20).
What are the key properties of methyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate?
methyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 360.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 24632476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).