4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide

C11H12N4O3S2 — CID 1491449

IUPAC4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2snnc2C)cc1
InChIInChI=1S/C11H12N4O3S2/c1-7-3-5-9(6-4-7)20(17,18)15-13-11(16)10-8(2)12-14-19-10/h3-6,15H,1-2H3,(H,13,16)
InChIKeyOLYRJTNDQPADNQ-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.78
Rot. Bonds4

About 4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide

4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide (PubChem CID 1491449) has the molecular formula C11H12N4O3S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide
PubChem CID1491449
Molecular FormulaC11H12N4O3S2
Molecular Weight312.38 g/mol
Exact Mass312.04
IUPAC Name4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2snnc2C)cc1
InChIInChI=1S/C11H12N4O3S2/c1-7-3-5-9(6-4-7)20(17,18)15-13-11(16)10-8(2)12-14-19-10/h3-6,15H,1-2H3,(H,13,16)
InChIKeyOLYRJTNDQPADNQ-UHFFFAOYSA-N
XLogP0.78
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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]benzenesulfonohydrazide
CID 1491461
4-Methyl-N'-[(E)-phenylmethylidene]-1,2,3-thiadiazole-5-carbohydrazide
CID 9621212
N'-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3,5-bis(trifluoromethyl)benzenesulfonohydrazide
CID 2804275
4-methyl-N'-(1,2,3-thiadiazol-4-ylcarbonyl)benzenesulfonohydrazide
CID 849430
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methylthiadiazole-5-carboxamide
CID 44722831
4-fluoro-N'-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]benzenesulfonohydrazide
CID 1491463
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 4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide (CID 1491449) is 4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)c2snnc2C)cc1.
What is the InChIKey of 4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide?
The InChIKey is OLYRJTNDQPADNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S2/c1-7-3-5-9(6-4-7)20(17,18)15-13-11(16)10-8(2)12-14-19-10/h3-6,15H,1-2H3,(H,13,16).
What are the key properties of 4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide?
4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide has a molecular weight of 312.38 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(4-methylphenyl)sulfonylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 1491449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).