2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

C14H11FN4O2S — CID 46956979

IUPAC2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCc1ncsc1-c1nnc(CNC(=O)c2ccccc2F)o1
InChIInChI=1S/C14H11FN4O2S/c1-8-12(22-7-17-8)14-19-18-11(21-14)6-16-13(20)9-4-2-3-5-10(9)15/h2-5,7H,6H2,1H3,(H,16,20)
InChIKeyBHUMRDAWFZWZGA-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.57
Rot. Bonds4

About 2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide

2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 46956979) has the molecular formula C14H11FN4O2S and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID46956979
Molecular FormulaC14H11FN4O2S
Molecular Weight318.33 g/mol
Exact Mass318.06
IUPAC Name2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCc1ncsc1-c1nnc(CNC(=O)c2ccccc2F)o1
InChIInChI=1S/C14H11FN4O2S/c1-8-12(22-7-17-8)14-19-18-11(21-14)6-16-13(20)9-4-2-3-5-10(9)15/h2-5,7H,6H2,1H3,(H,16,20)
InChIKeyBHUMRDAWFZWZGA-UHFFFAOYSA-N
XLogP2.57
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 46956979) is 2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is Cc1ncsc1-c1nnc(CNC(=O)c2ccccc2F)o1.
What is the InChIKey of 2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is BHUMRDAWFZWZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2S/c1-8-12(22-7-17-8)14-19-18-11(21-14)6-16-13(20)9-4-2-3-5-10(9)15/h2-5,7H,6H2,1H3,(H,16,20).
What are the key properties of 2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 318.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 46956979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).