N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide

C9H14N4OS — CID 91636200

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
SMILESCc1nsc(NC(=O)C2CCNCC2)n1
InChIInChI=1S/C9H14N4OS/c1-6-11-9(15-13-6)12-8(14)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3,(H,11,12,13,14)
InChIKeySAENFKATZNLOBS-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.78
Rot. Bonds2

About N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide

N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide (PubChem CID 91636200) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
PubChem CID91636200
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
SMILESCc1nsc(NC(=O)C2CCNCC2)n1
InChIInChI=1S/C9H14N4OS/c1-6-11-9(15-13-6)12-8(14)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3,(H,11,12,13,14)
InChIKeySAENFKATZNLOBS-UHFFFAOYSA-N
XLogP0.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
2-ethyl-N-(3-methyl(1,2,4-thiadiazol-5-yl))butanamide
CID 16455953
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984917
1-Methyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65274053
4-Methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 119037726
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
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

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide (CID 91636200) is N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide is Cc1nsc(NC(=O)C2CCNCC2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide?
The InChIKey is SAENFKATZNLOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-11-9(15-13-6)12-8(14)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3,(H,11,12,13,14).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 91636200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).