N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide

C12H12N4O2S — CID 46522979

IUPACN'-benzoyl-4-ethylthiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C12H12N4O2S/c1-2-9-10(19-16-13-9)12(18)15-14-11(17)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,17)(H,15,18)
InChIKeyGRSOCNMUXYZOCL-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.18
Rot. Bonds3

About N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide

N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide (PubChem CID 46522979) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-4-ethylthiadiazole-5-carbohydrazide
PubChem CID46522979
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN'-benzoyl-4-ethylthiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C12H12N4O2S/c1-2-9-10(19-16-13-9)12(18)15-14-11(17)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,17)(H,15,18)
InChIKeyGRSOCNMUXYZOCL-UHFFFAOYSA-N
XLogP1.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide
CID 37349014
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-4-ethylthiadiazole-5-carbohydrazide
CID 29411110
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
CID 30911801
4-ethyl-N-[(1S)-1-phenylbutyl]thiadiazole-5-carboxamide
CID 39966907
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide
CID 112811296
4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide
CID 46638081
N-[(1S)-1,2-diphenylethyl]-4-ethylthiadiazole-5-carboxamide
CID 96996379
4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide
CID 33067113
4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide
CID 34729675
4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 18198095
4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide
CID 34815435

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide (CID 46522979) is N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide is CCc1nnsc1C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide?
The InChIKey is GRSOCNMUXYZOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-2-9-10(19-16-13-9)12(18)15-14-11(17)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide?
N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide has a molecular weight of 276.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 46522979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).