N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide

C7H8N6OS — CID 47338144

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cn[nH]n2)s1
InChIInChI=1S/C7H8N6OS/c1-2-5-11-12-7(15-5)9-6(14)4-3-8-13-10-4/h3H,2H2,1H3,(H,8,10,13)(H,9,12,14)
InChIKeyYCWOMWUMHMLHKN-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.47
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide (PubChem CID 47338144) has the molecular formula C7H8N6OS and a molecular weight of 224.25 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide
PubChem CID47338144
Molecular FormulaC7H8N6OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cn[nH]n2)s1
InChIInChI=1S/C7H8N6OS/c1-2-5-11-12-7(15-5)9-6(14)4-3-8-13-10-4/h3H,2H2,1H3,(H,8,10,13)(H,9,12,14)
InChIKeyYCWOMWUMHMLHKN-UHFFFAOYSA-N
XLogP0.47
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110462181
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 107641312
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-hydrazinylpyridazine-3-carboxamide
CID 107643252
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107642755
2-(2-aminoethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 107641921
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 9046504
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17010920
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 107643149
5-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide
CID 107642777
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-4-carboxamide
CID 107643171

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide (CID 47338144) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide is CCc1nnc(NC(=O)c2cn[nH]n2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide?
The InChIKey is YCWOMWUMHMLHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS/c1-2-5-11-12-7(15-5)9-6(14)4-3-8-13-10-4/h3H,2H2,1H3,(H,8,10,13)(H,9,12,14).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide has a molecular weight of 224.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 47338144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).