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

C16H20N4O2S — CID 44608697

IUPACN'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide
SMILESCc1ccc(C(=O)N(NC(=O)c2snnc2C)C(C)(C)C)cc1
InChIInChI=1S/C16H20N4O2S/c1-10-6-8-12(9-7-10)15(22)20(16(3,4)5)18-14(21)13-11(2)17-19-23-13/h6-9H,1-5H3,(H,18,21)
InChIKeyIEUYYOORRUVRCR-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.74
Rot. Bonds2

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

N'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide (PubChem CID 44608697) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide
PubChem CID44608697
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide
SMILESCc1ccc(C(=O)N(NC(=O)c2snnc2C)C(C)(C)C)cc1
InChIInChI=1S/C16H20N4O2S/c1-10-6-8-12(9-7-10)15(22)20(16(3,4)5)18-14(21)13-11(2)17-19-23-13/h6-9H,1-5H3,(H,18,21)
InChIKeyIEUYYOORRUVRCR-UHFFFAOYSA-N
XLogP2.74
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide?
The IUPAC name of N'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide (CID 44608697) is N'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide?
The canonical SMILES for N'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide is Cc1ccc(C(=O)N(NC(=O)c2snnc2C)C(C)(C)C)cc1.
What is the InChIKey of N'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide?
The InChIKey is IEUYYOORRUVRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-6-8-12(9-7-10)15(22)20(16(3,4)5)18-14(21)13-11(2)17-19-23-13/h6-9H,1-5H3,(H,18,21).
What are the key properties of N'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide?
N'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide has a molecular weight of 332.43 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-4-methyl-N'-(4-methylbenzoyl)thiadiazole-5-carbohydrazide is sourced from PubChem (CID 44608697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).