N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide

C13H19FN4OS — CID 165432047

IUPACN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(F)CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H19FN4OS/c1-9(19)15-8-13(14)4-6-18(7-5-13)12-16-11(17-20-12)10-2-3-10/h10H,2-8H2,1H3,(H,15,19)
InChIKeyUIHCEUFAJZHNOL-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.86
Rot. Bonds4

About N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide

N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide (PubChem CID 165432047) has the molecular formula C13H19FN4OS and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide
PubChem CID165432047
Molecular FormulaC13H19FN4OS
Molecular Weight298.39 g/mol
Exact Mass298.13
IUPAC NameN-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(F)CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H19FN4OS/c1-9(19)15-8-13(14)4-6-18(7-5-13)12-16-11(17-20-12)10-2-3-10/h10H,2-8H2,1H3,(H,15,19)
InChIKeyUIHCEUFAJZHNOL-UHFFFAOYSA-N
XLogP1.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984917
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 75377037
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 75520974
2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide
CID 174154467
2,2,2-Trifluoro-1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133429695
1-[4-[[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133429696
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
1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133484623
2,2,2-Trifluoro-1-[4-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]piperidin-1-yl]ethanone
CID 133485949
3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 133486633

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide (CID 165432047) is N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide is CC(=O)NCC1(F)CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide?
The InChIKey is UIHCEUFAJZHNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4OS/c1-9(19)15-8-13(14)4-6-18(7-5-13)12-16-11(17-20-12)10-2-3-10/h10H,2-8H2,1H3,(H,15,19).
What are the key properties of N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide?
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-fluoropiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 165432047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).