2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide

C14H10F2N4O2S — CID 75500240

IUPAC2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(-c2cnc(-c3ccc(F)c(F)c3)s2)n1
InChIInChI=1S/C14H10F2N4O2S/c1-17-12(21)5-11-19-13(22-20-11)10-6-18-14(23-10)7-2-3-8(15)9(16)4-7/h2-4,6H,5H2,1H3,(H,17,21)
InChIKeyFPVVPPXHNKRGEJ-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.43
Rot. Bonds4

About 2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide

2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide (PubChem CID 75500240) has the molecular formula C14H10F2N4O2S and a molecular weight of 336.32 g/mol. Its IUPAC name is 2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
PubChem CID75500240
Molecular FormulaC14H10F2N4O2S
Molecular Weight336.32 g/mol
Exact Mass336.05
IUPAC Name2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(-c2cnc(-c3ccc(F)c(F)c3)s2)n1
InChIInChI=1S/C14H10F2N4O2S/c1-17-12(21)5-11-19-13(22-20-11)10-6-18-14(23-10)7-2-3-8(15)9(16)4-7/h2-4,6H,5H2,1H3,(H,17,21)
InChIKeyFPVVPPXHNKRGEJ-UHFFFAOYSA-N
XLogP2.43
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide (CID 75500240) is 2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide is CNC(=O)Cc1noc(-c2cnc(-c3ccc(F)c(F)c3)s2)n1.
What is the InChIKey of 2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The InChIKey is FPVVPPXHNKRGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O2S/c1-17-12(21)5-11-19-13(22-20-11)10-6-18-14(23-10)7-2-3-8(15)9(16)4-7/h2-4,6H,5H2,1H3,(H,17,21).
What are the key properties of 2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide has a molecular weight of 336.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 75500240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).