1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone

C9H14N4OS — CID 141188013

IUPAC1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nsc(N)n2)CC1
InChIInChI=1S/C9H14N4OS/c1-6(14)13-4-2-7(3-5-13)8-11-9(10)15-12-8/h7H,2-5H2,1H3,(H2,10,11,12)
InChIKeyUJIMEUUHSONQFO-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.85
Rot. Bonds1

About 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone

1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 141188013) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone
PubChem CID141188013
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nsc(N)n2)CC1
InChIInChI=1S/C9H14N4OS/c1-6(14)13-4-2-7(3-5-13)8-11-9(10)15-12-8/h7H,2-5H2,1H3,(H2,10,11,12)
InChIKeyUJIMEUUHSONQFO-UHFFFAOYSA-N
XLogP0.85
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(pyrrolidin-1-ylcarbonyl)piperidine-1-carboxamide
CID 46996800
N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
CID 46994396
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984917
3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46986528
N-(3-Methyl-1,2,4-thiadiazol-5-YL)piperidine-4-carboxamide
CID 91636200
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
2,2,2-Trifluoro-1-[4-[[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]methyl]piperidin-1-yl]ethanone
CID 133485949
1-[4-[[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133494380
N-{[4-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl}acetamide
CID 165431829

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone (CID 141188013) is 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nsc(N)n2)CC1.
What is the InChIKey of 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is UJIMEUUHSONQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6(14)13-4-2-7(3-5-13)8-11-9(10)15-12-8/h7H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone?
1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 226.30 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-1,2,4-thiadiazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 141188013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).