N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide

C15H16FN5OS — CID 53095702

IUPACN-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide
SMILESCCCCC(=O)Nc1nn2c(-c3ccc(C)c(F)c3)nnc2s1
InChIInChI=1S/C15H16FN5OS/c1-3-4-5-12(22)17-14-20-21-13(18-19-15(21)23-14)10-7-6-9(2)11(16)8-10/h6-8H,3-5H2,1-2H3,(H,17,20,22)
InChIKeyXLIIMPTZWNLANN-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.43
Rot. Bonds5

About N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide

N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide (PubChem CID 53095702) has the molecular formula C15H16FN5OS and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide.

Molecular Properties

Compound NameN-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide
PubChem CID53095702
Molecular FormulaC15H16FN5OS
Molecular Weight333.39 g/mol
Exact Mass333.11
IUPAC NameN-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide
SMILESCCCCC(=O)Nc1nn2c(-c3ccc(C)c(F)c3)nnc2s1
InChIInChI=1S/C15H16FN5OS/c1-3-4-5-12(22)17-14-20-21-13(18-19-15(21)23-14)10-7-6-9(2)11(16)8-10/h6-8H,3-5H2,1-2H3,(H,17,20,22)
InChIKeyXLIIMPTZWNLANN-UHFFFAOYSA-N
XLogP3.43
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide?
The IUPAC name of N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide (CID 53095702) is N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide.
What is the SMILES notation for N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide?
The canonical SMILES for N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide is CCCCC(=O)Nc1nn2c(-c3ccc(C)c(F)c3)nnc2s1.
What is the InChIKey of N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide?
The InChIKey is XLIIMPTZWNLANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5OS/c1-3-4-5-12(22)17-14-20-21-13(18-19-15(21)23-14)10-7-6-9(2)11(16)8-10/h6-8H,3-5H2,1-2H3,(H,17,20,22).
What are the key properties of N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide?
N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide has a molecular weight of 333.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentanamide is sourced from PubChem (CID 53095702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).