N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide

C11H10N4O2S — CID 82121906

IUPACN-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide
SMILESCC(=O)Cc1nsc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C11H10N4O2S/c1-7(16)6-9-13-11(18-15-9)14-10(17)8-2-4-12-5-3-8/h2-5H,6H2,1H3,(H,13,14,15,17)
InChIKeyYYZWOAWUQYTHMF-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.32
Rot. Bonds4

About N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide

N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide (PubChem CID 82121906) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide
PubChem CID82121906
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC NameN-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide
SMILESCC(=O)Cc1nsc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C11H10N4O2S/c1-7(16)6-9-13-11(18-15-9)14-10(17)8-2-4-12-5-3-8/h2-5H,6H2,1H3,(H,13,14,15,17)
InChIKeyYYZWOAWUQYTHMF-UHFFFAOYSA-N
XLogP1.32
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 53298075
4-bromo-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide
CID 51134352
N-[3-(2-hydroxypropyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 22423739
4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide
CID 100669326
4-chloro-N-[3-[(2R)-2-hydroxypropyl]-1,2,4-thiadiazol-5-yl]benzamide
CID 92699849
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
CID 2088903
1-[5-(3,5-dimethylanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 858319
1-[5-[2-(dimethylamino)ethylamino]-1,2,4-thiadiazol-3-yl]propan-2-one
CID 112708167
1-[5-(3-methylanilino)-1,2,4-thiadiazol-3-yl]propan-2-one
CID 4051152
5-(methoxymethyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenyltriazole-4-carboxamide
CID 16651344
7-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepine-4-carboxamide
CID 20896565

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide (CID 82121906) is N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide is CC(=O)Cc1nsc(NC(=O)c2ccncc2)n1.
What is the InChIKey of N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide?
The InChIKey is YYZWOAWUQYTHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-7(16)6-9-13-11(18-15-9)14-10(17)8-2-4-12-5-3-8/h2-5H,6H2,1H3,(H,13,14,15,17).
What are the key properties of N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide?
N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 82121906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).