4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide

C12H12N4O2S — CID 9086765

IUPAC4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2snnc2C)cc1
InChIInChI=1S/C12H12N4O2S/c1-7-3-5-9(6-4-7)11(17)14-15-12(18)10-8(2)13-16-19-10/h3-6H,1-2H3,(H,14,17)(H,15,18)
InChIKeyORGXPFFMFUMFOY-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.23
Rot. Bonds2

About 4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide

4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide (PubChem CID 9086765) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide
PubChem CID9086765
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2snnc2C)cc1
InChIInChI=1S/C12H12N4O2S/c1-7-3-5-9(6-4-7)11(17)14-15-12(18)10-8(2)13-16-19-10/h3-6H,1-2H3,(H,14,17)(H,15,18)
InChIKeyORGXPFFMFUMFOY-UHFFFAOYSA-N
XLogP1.23
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.23
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'-(4-isopropylphenyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazide
CID 2811458
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
4-methyl-N'-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]benzenesulfonohydrazide
CID 1491449
4-Methyl-N'-[(E)-phenylmethylidene]-1,2,3-thiadiazole-5-carbohydrazide
CID 9621212
4-methyl-N'-(1-naphthylcarbonyl)-1,2,3-thiadiazole-5-carbohydrazide
CID 2813434
N'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide
CID 44608697
N'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
CID 44608698
1,2,3-Thiadiazole-5-carboxylic acid, 4-methyl-, 2-(1,1-dimethylethyl)-2-[4-(trifluoromethyl)benzoyl]hydrazide
CID 44608700

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide (CID 9086765) is 4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2snnc2C)cc1.
What is the InChIKey of 4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide?
The InChIKey is ORGXPFFMFUMFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-7-3-5-9(6-4-7)11(17)14-15-12(18)10-8(2)13-16-19-10/h3-6H,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide?
4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide has a molecular weight of 276.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide is sourced from PubChem (CID 9086765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).