4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide

C15H16N4O3S — CID 144745240

IUPAC4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C(=O)c1ccc(N=O)cc1)C(C)C
InChIInChI=1S/C15H16N4O3S/c1-8(2)12(16-15(21)14-9(3)17-19-23-14)13(20)10-4-6-11(18-22)7-5-10/h4-8,12H,1-3H3,(H,16,21)
InChIKeyZNHMVSQWWUDLFW-UHFFFAOYSA-N
MW332.39 g/mol
LogP2.88
Rot. Bonds6

About 4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide

4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide (PubChem CID 144745240) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide
PubChem CID144745240
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(C(=O)c1ccc(N=O)cc1)C(C)C
InChIInChI=1S/C15H16N4O3S/c1-8(2)12(16-15(21)14-9(3)17-19-23-14)13(20)10-4-6-11(18-22)7-5-10/h4-8,12H,1-3H3,(H,16,21)
InChIKeyZNHMVSQWWUDLFW-UHFFFAOYSA-N
XLogP2.88
TPSA101.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide (CID 144745240) is 4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(C(=O)c1ccc(N=O)cc1)C(C)C.
What is the InChIKey of 4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide?
The InChIKey is ZNHMVSQWWUDLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-8(2)12(16-15(21)14-9(3)17-19-23-14)13(20)10-4-6-11(18-22)7-5-10/h4-8,12H,1-3H3,(H,16,21).
What are the key properties of 4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide?
4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-1-(4-nitrosophenyl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 144745240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).