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

C9H12N4O2S — CID 138608919

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxopiperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(=O)CC2)n1
InChIInChI=1S/C9H12N4O2S/c1-6-10-8(16-12-6)11-9(15)13-4-2-7(14)3-5-13/h2-5H2,1H3,(H,10,11,12,15)
InChIKeyGHYNDZGKOQZRBI-UHFFFAOYSA-N
MW240.29 g/mol
LogP1.04
Rot. Bonds1

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

N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxopiperidine-1-carboxamide (PubChem CID 138608919) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxopiperidine-1-carboxamide
PubChem CID138608919
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxopiperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(=O)CC2)n1
InChIInChI=1S/C9H12N4O2S/c1-6-10-8(16-12-6)11-9(15)13-4-2-7(14)3-5-13/h2-5H2,1H3,(H,10,11,12,15)
InChIKeyGHYNDZGKOQZRBI-UHFFFAOYSA-N
XLogP1.04
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-Methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 47000263
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 50968784
4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990975
4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46998569
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59258510
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59433760
1-(5-Piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-one
CID 89752796
N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 116658033
4-[2-(acetylamino)ethyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46983292
1-Methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46999542
N~3~,N~3~-diethyl-N~1~-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide
CID 46999862
(3R)-3-N,3-N-diethyl-1-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1,3-dicarboxamide
CID 52401399

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxopiperidine-1-carboxamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxopiperidine-1-carboxamide (CID 138608919) is N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxopiperidine-1-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxopiperidine-1-carboxamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxopiperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCC(=O)CC2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxopiperidine-1-carboxamide?
The InChIKey is GHYNDZGKOQZRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-6-10-8(16-12-6)11-9(15)13-4-2-7(14)3-5-13/h2-5H2,1H3,(H,10,11,12,15).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxopiperidine-1-carboxamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxopiperidine-1-carboxamide has a molecular weight of 240.29 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 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)-4-oxopiperidine-1-carboxamide is sourced from PubChem (CID 138608919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).