2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide

C10H8N4O2S — CID 123280406

IUPAC2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide
SMILESNNC(=O)C(=O)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C10H8N4O2S/c11-12-10(16)9(15)7-3-1-6(2-4-7)8-5-17-14-13-8/h1-5H,11H2,(H,12,16)
InChIKeyIRDVWWKYOGVRBD-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.38
Rot. Bonds3

About 2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide

2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide (PubChem CID 123280406) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide
PubChem CID123280406
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC Name2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide
SMILESNNC(=O)C(=O)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C10H8N4O2S/c11-12-10(16)9(15)7-3-1-6(2-4-7)8-5-17-14-13-8/h1-5H,11H2,(H,12,16)
InChIKeyIRDVWWKYOGVRBD-UHFFFAOYSA-N
XLogP0.38
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide
CID 45488360
N'1-[4-(1,2,3-thiadiazol-4-yl)phenyl]-2-methylbenzene-1-carbohydrazide
CID 2739275
4-Phenyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2776856
4-(1,2,3-Thiadiazol-4-yl)benzamide
CID 2739359
4-(1,2,3-Thiadiazol-4-yl)benzaldehyde
CID 2776453
2-Bromo-1-[4-(1,2,3-thiadiazol-4-yl)phenyl]ethanone
CID 18353418
2-(Thiadiazol-4-yl)benzamide
CID 19912049
N-methyl-4-(thiadiazol-4-yl)benzamide
CID 22103625
2-Methyl-3-[4-(thiadiazol-4-yl)phenyl]propanamide
CID 23061891
1-[4-(1,2,3-Thiadiazol-4-yl)phenyl]ethanone
CID 59162024
2-Methyl-4-(thiadiazol-4-yl)benzamide
CID 67628632
N,N-dimethyl-4-(thiadiazol-4-yl)benzamide
CID 67628868

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide?
The IUPAC name of 2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide (CID 123280406) is 2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide.
What is the SMILES notation for 2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide?
The canonical SMILES for 2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide is NNC(=O)C(=O)c1ccc(-c2csnn2)cc1.
What is the InChIKey of 2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide?
The InChIKey is IRDVWWKYOGVRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2S/c11-12-10(16)9(15)7-3-1-6(2-4-7)8-5-17-14-13-8/h1-5H,11H2,(H,12,16).
What are the key properties of 2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide?
2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide has a molecular weight of 248.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[4-(thiadiazol-4-yl)phenyl]acetohydrazide is sourced from PubChem (CID 123280406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).