N-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide

C16H20N4O2S — CID 44608864

IUPACN-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide
SMILESCc1cccc(C(=O)NN(C(=O)c2snnc2C)C(C)(C)C)c1
InChIInChI=1S/C16H20N4O2S/c1-10-7-6-8-12(9-10)14(21)18-20(16(3,4)5)15(22)13-11(2)17-19-23-13/h6-9H,1-5H3,(H,18,21)
InChIKeyBEERSDQQXBPRMF-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.74
Rot. Bonds2

About N-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide

N-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide (PubChem CID 44608864) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide
PubChem CID44608864
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide
SMILESCc1cccc(C(=O)NN(C(=O)c2snnc2C)C(C)(C)C)c1
InChIInChI=1S/C16H20N4O2S/c1-10-7-6-8-12(9-10)14(21)18-20(16(3,4)5)15(22)13-11(2)17-19-23-13/h6-9H,1-5H3,(H,18,21)
InChIKeyBEERSDQQXBPRMF-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'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide?
The IUPAC name of N-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide (CID 44608864) is N-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide.
What is the SMILES notation for N-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide?
The canonical SMILES for N-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide is Cc1cccc(C(=O)NN(C(=O)c2snnc2C)C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-4-methyl-N'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide?
The InChIKey is BEERSDQQXBPRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-7-6-8-12(9-10)14(21)18-20(16(3,4)5)15(22)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'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide?
N-tert-butyl-4-methyl-N'-(3-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'-(3-methylbenzoyl)thiadiazole-5-carbohydrazide is sourced from PubChem (CID 44608864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).