5-phenylthiadiazole-4-carbohydrazide

C9H8N4OS — CID 12733791

IUPAC5-phenylthiadiazole-4-carbohydrazide
SMILESNNC(=O)c1nnsc1-c1ccccc1
InChIInChI=1S/C9H8N4OS/c10-11-9(14)7-8(15-13-12-7)6-4-2-1-3-5-6/h1-5H,10H2,(H,11,14)
InChIKeyNJMPGLYYFHDSSY-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.81
Rot. Bonds2

About 5-phenylthiadiazole-4-carbohydrazide

5-phenylthiadiazole-4-carbohydrazide (PubChem CID 12733791) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is 5-phenylthiadiazole-4-carbohydrazide.

Molecular Properties

Compound Name5-phenylthiadiazole-4-carbohydrazide
PubChem CID12733791
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name5-phenylthiadiazole-4-carbohydrazide
SMILESNNC(=O)c1nnsc1-c1ccccc1
InChIInChI=1S/C9H8N4OS/c10-11-9(14)7-8(15-13-12-7)6-4-2-1-3-5-6/h1-5H,10H2,(H,11,14)
InChIKeyNJMPGLYYFHDSSY-UHFFFAOYSA-N
XLogP0.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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'-(2-ethylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2811990
N'-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-4-(trifluoromethyl)benzohydrazide
CID 2813446
N'-[4-(trifluoromethyl)benzoyl]thiadiazole-4-carbohydrazide
CID 45488360
4-Phenyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2776856
4-Phenylthiadiazole-5-carboxamide
CID 2804329
5-[4-(4-Carbamoylthiadiazol-5-yl)phenyl]thiadiazole-4-carboxamide
CID 274299
N,N-diethyl-5-phenylthiadiazole-4-carboxamide
CID 71688661
N'-(4-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
CID 2814011
N'-(2-fluorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
CID 9084732
N'-[2-(4-fluorophenyl)acetyl]-4-methylthiadiazole-5-carbohydrazide
CID 9091934
4-ethyl-N'-(2-fluorobenzoyl)thiadiazole-5-carbohydrazide
CID 34977307
4-ethyl-N'-[2-(4-fluorophenyl)acetyl]thiadiazole-5-carbohydrazide
CID 35797685

Frequently Asked Questions

What is the IUPAC name of 5-phenylthiadiazole-4-carbohydrazide?
The IUPAC name of 5-phenylthiadiazole-4-carbohydrazide (CID 12733791) is 5-phenylthiadiazole-4-carbohydrazide.
What is the SMILES notation for 5-phenylthiadiazole-4-carbohydrazide?
The canonical SMILES for 5-phenylthiadiazole-4-carbohydrazide is NNC(=O)c1nnsc1-c1ccccc1.
What is the InChIKey of 5-phenylthiadiazole-4-carbohydrazide?
The InChIKey is NJMPGLYYFHDSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c10-11-9(14)7-8(15-13-12-7)6-4-2-1-3-5-6/h1-5H,10H2,(H,11,14).
What are the key properties of 5-phenylthiadiazole-4-carbohydrazide?
5-phenylthiadiazole-4-carbohydrazide has a molecular weight of 220.26 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylthiadiazole-4-carbohydrazide is sourced from PubChem (CID 12733791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).