4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide

C13H16N4OS — CID 2811458

IUPAC4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNc1ccc(C(C)C)cc1
InChIInChI=1S/C13H16N4OS/c1-8(2)10-4-6-11(7-5-10)15-16-13(18)12-9(3)14-17-19-12/h4-8,15H,1-3H3,(H,16,18)
InChIKeyUXEJQCINNVLPTQ-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.73
Rot. Bonds4

About 4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide

4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide (PubChem CID 2811458) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide
PubChem CID2811458
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNc1ccc(C(C)C)cc1
InChIInChI=1S/C13H16N4OS/c1-8(2)10-4-6-11(7-5-10)15-16-13(18)12-9(3)14-17-19-12/h4-8,15H,1-3H3,(H,16,18)
InChIKeyUXEJQCINNVLPTQ-UHFFFAOYSA-N
XLogP2.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide (CID 2811458) is 4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NNc1ccc(C(C)C)cc1.
What is the InChIKey of 4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide?
The InChIKey is UXEJQCINNVLPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8(2)10-4-6-11(7-5-10)15-16-13(18)12-9(3)14-17-19-12/h4-8,15H,1-3H3,(H,16,18).
What are the key properties of 4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide?
4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide has a molecular weight of 276.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(4-propan-2-ylphenyl)thiadiazole-5-carbohydrazide is sourced from PubChem (CID 2811458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).