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

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Related Compounds

[1,2,3]Thiadiazole-4-carboxylic acid (4-acetyl-phenyl)-cyclohexylcarbamoylmethyl-amide
CID 24761905
[1,2,3]Thiadiazole-4-carboxylic acid (4-acetyl-phenyl)-cyclopentylcarbamoylmethyl-amide
CID 24761911
N-tert-butyl-4-methyl-N'-(4-nitrobenzoyl)thiadiazole-5-carbohydrazide
CID 44608870
N-[2-(cyclohexylamino)-1-(3-nitrophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 45276834
N-[2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 45276984
N'-tert-butyl-4-methyl-N'-(4-nitrobenzoyl)thiadiazole-5-carbohydrazide
CID 50940737
N-(4-carbamoylphenyl)-4-methylthiadiazole-5-carboxamide
CID 6852065
N-{4-[(cyclopropylcarbamoyl)methyl]phenyl}-4-propyl-1,2,3-thiadiazole-5-carboxamide
CID 45504864
4-methyl-N-(4-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)phenyl)-1,2,3-thiadiazole-5-carboxamide
CID 49675495
N-(4-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)phenyl)-4-propyl-1,2,3-thiadiazole-5-carboxamide
CID 49694511
N-[4-(dimethylcarbamoyl)phenyl]-4-ethylthiadiazole-5-carboxamide
CID 25607822
4-ethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]thiadiazole-5-carboxamide
CID 32918388

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).