N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide

C20H13F4N5O2S — CID 67346226

IUPACN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESO=C(NCCc1csc(-c2ccc(F)cc2)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C20H13F4N5O2S/c21-14-3-1-11(2-4-14)18-27-15(10-32-18)5-6-26-17(30)13-7-12(8-25-9-13)16-28-19(31-29-16)20(22,23)24/h1-4,7-10H,5-6H2,(H,26,30)
InChIKeyDCWYSKSRVIDEGB-UHFFFAOYSA-N
MW463.42 g/mol
LogP4.39
Rot. Bonds6

About N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 67346226) has the molecular formula C20H13F4N5O2S and a molecular weight of 463.42 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
PubChem CID67346226
Molecular FormulaC20H13F4N5O2S
Molecular Weight463.42 g/mol
Exact Mass463.07
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESO=C(NCCc1csc(-c2ccc(F)cc2)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C20H13F4N5O2S/c21-14-3-1-11(2-4-14)18-27-15(10-32-18)5-6-26-17(30)13-7-12(8-25-9-13)16-28-19(31-29-16)20(22,23)24/h1-4,7-10H,5-6H2,(H,26,30)
InChIKeyDCWYSKSRVIDEGB-UHFFFAOYSA-N
XLogP4.39
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (CID 67346226) is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1cncc(-c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is DCWYSKSRVIDEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O2S/c21-14-3-1-11(2-4-14)18-27-15(10-32-18)5-6-26-17(30)13-7-12(8-25-9-13)16-28-19(31-29-16)20(22,23)24/h1-4,7-10H,5-6H2,(H,26,30).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 463.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67346226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).