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

C12H19FN4O2S — CID 165432179

IUPACN-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide
SMILESCOCc1nsc(N2CCC(F)(CNC(C)=O)CC2)n1
InChIInChI=1S/C12H19FN4O2S/c1-9(18)14-8-12(13)3-5-17(6-4-12)11-15-10(7-19-2)16-20-11/h3-8H2,1-2H3,(H,14,18)
InChIKeyVVVUTVPBKCRJQX-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.13
Rot. Bonds5

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

N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide (PubChem CID 165432179) has the molecular formula C12H19FN4O2S and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide
PubChem CID165432179
Molecular FormulaC12H19FN4O2S
Molecular Weight302.38 g/mol
Exact Mass302.12
IUPAC NameN-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide
SMILESCOCc1nsc(N2CCC(F)(CNC(C)=O)CC2)n1
InChIInChI=1S/C12H19FN4O2S/c1-9(18)14-8-12(13)3-5-17(6-4-12)11-15-10(7-19-2)16-20-11/h3-8H2,1-2H3,(H,14,18)
InChIKeyVVVUTVPBKCRJQX-UHFFFAOYSA-N
XLogP1.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[1-[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]piperidin-2-one
CID 121549606
2-methoxy-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]ethanamine
CID 107305939
2,2,2-Trifluoro-1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133429695
2,2,2-Trifluoro-1-[4-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133429704
1-[4-[[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133429708
2,2,2-Trifluoro-1-[4-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]piperidin-1-yl]ethanone
CID 133485949
3-(methoxymethyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 133486746
4-(4,4-Difluoropiperidine-1-carbonyl)-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidine
CID 155975982
N-{[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl}acetamide
CID 165431829
N-{[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl}-2,2-dimethylpropanamide
CID 165431873
N-{[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl}acetamide
CID 165432047
N-({4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl}methyl)-2,2-dimethylpropanamide
CID 165432231

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]acetamide?
The IUPAC name of N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide (CID 165432179) is N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide is COCc1nsc(N2CCC(F)(CNC(C)=O)CC2)n1.
What is the InChIKey of N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide?
The InChIKey is VVVUTVPBKCRJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O2S/c1-9(18)14-8-12(13)3-5-17(6-4-12)11-15-10(7-19-2)16-20-11/h3-8H2,1-2H3,(H,14,18).
What are the key properties of N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide?
N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.13, 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]acetamide is sourced from PubChem (CID 165432179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).