N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide

C15H25FN4O2S — CID 165432231

IUPACN-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCOCc1nsc(N2CCC(F)(CNC(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C15H25FN4O2S/c1-14(2,3)12(21)17-10-15(16)5-7-20(8-6-15)13-18-11(9-22-4)19-23-13/h5-10H2,1-4H3,(H,17,21)
InChIKeyVJXBPCSGDLEGCV-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.16
Rot. Bonds5

About N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide

N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 165432231) has the molecular formula C15H25FN4O2S and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID165432231
Molecular FormulaC15H25FN4O2S
Molecular Weight344.46 g/mol
Exact Mass344.17
IUPAC NameN-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCOCc1nsc(N2CCC(F)(CNC(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C15H25FN4O2S/c1-14(2,3)12(21)17-10-15(16)5-7-20(8-6-15)13-18-11(9-22-4)19-23-13/h5-10H2,1-4H3,(H,17,21)
InChIKeyVJXBPCSGDLEGCV-UHFFFAOYSA-N
XLogP2.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide (CID 165432231) is N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide is COCc1nsc(N2CCC(F)(CNC(=O)C(C)(C)C)CC2)n1.
What is the InChIKey of N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is VJXBPCSGDLEGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4O2S/c1-14(2,3)12(21)17-10-15(16)5-7-20(8-6-15)13-18-11(9-22-4)19-23-13/h5-10H2,1-4H3,(H,17,21).
What are the key properties of N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 344.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 165432231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).