2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C17H14F4N4O2S — CID 59568524

IUPAC2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1CCc1ncc(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C17H14F4N4O2S/c1-9-11(15(25-27-9)12-4-2-10(18)6-22-12)3-5-14-23-7-13(28-14)16(26)24-8-17(19,20)21/h2,4,6-7H,3,5,8H2,1H3,(H,24,26)
InChIKeySYGADYZUXPLYAO-UHFFFAOYSA-N
MW414.38 g/mol
LogP3.72
Rot. Bonds6

About 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 59568524) has the molecular formula C17H14F4N4O2S and a molecular weight of 414.38 g/mol. Its IUPAC name is 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID59568524
Molecular FormulaC17H14F4N4O2S
Molecular Weight414.38 g/mol
Exact Mass414.08
IUPAC Name2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1onc(-c2ccc(F)cn2)c1CCc1ncc(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C17H14F4N4O2S/c1-9-11(15(25-27-9)12-4-2-10(18)6-22-12)3-5-14-23-7-13(28-14)16(26)24-8-17(19,20)21/h2,4,6-7H,3,5,8H2,1H3,(H,24,26)
InChIKeySYGADYZUXPLYAO-UHFFFAOYSA-N
XLogP3.72
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 59568524) is 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is Cc1onc(-c2ccc(F)cn2)c1CCc1ncc(C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SYGADYZUXPLYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4O2S/c1-9-11(15(25-27-9)12-4-2-10(18)6-22-12)3-5-14-23-7-13(28-14)16(26)24-8-17(19,20)21/h2,4,6-7H,3,5,8H2,1H3,(H,24,26).
What are the key properties of 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 414.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59568524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).