5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C17H16F3N3O3S — CID 71113181

IUPAC5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESO=C(NC1(c2nccs2)COC1)c1ccc(C2CC2)c(OCC(F)(F)F)n1
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)9-26-14-11(10-1-2-10)3-4-12(22-14)13(24)23-16(7-25-8-16)15-21-5-6-27-15/h3-6,10H,1-2,7-9H2,(H,23,24)
InChIKeyIMJIAUTWMGSJIR-UHFFFAOYSA-N
MW399.39 g/mol
LogP3.01
Rot. Bonds6

About 5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 71113181) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID71113181
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC Name5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESO=C(NC1(c2nccs2)COC1)c1ccc(C2CC2)c(OCC(F)(F)F)n1
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)9-26-14-11(10-1-2-10)3-4-12(22-14)13(24)23-16(7-25-8-16)15-21-5-6-27-15/h3-6,10H,1-2,7-9H2,(H,23,24)
InChIKeyIMJIAUTWMGSJIR-UHFFFAOYSA-N
XLogP3.01
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 71113181) is 5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is O=C(NC1(c2nccs2)COC1)c1ccc(C2CC2)c(OCC(F)(F)F)n1.
What is the InChIKey of 5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is IMJIAUTWMGSJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c18-17(19,20)9-26-14-11(10-1-2-10)3-4-12(22-14)13(24)23-16(7-25-8-16)15-21-5-6-27-15/h3-6,10H,1-2,7-9H2,(H,23,24).
What are the key properties of 5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 399.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-(1,3-thiazol-2-yl)oxetan-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71113181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).