N'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide

C14H16N4O3S5 — CID 87109063

IUPACN'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide
SMILESCN(NC(=O)CS(=O)(=O)NN(C)C(=S)c1ccsc1)C(=S)c1ccsc1
InChIInChI=1S/C14H16N4O3S5/c1-17(13(22)10-3-5-24-7-10)15-12(19)9-26(20,21)16-18(2)14(23)11-4-6-25-8-11/h3-8,16H,9H2,1-2H3,(H,15,19)
InChIKeyWJJXIYRVRLPXRM-UHFFFAOYSA-N
MW448.64 g/mol
LogP1.59
Rot. Bonds6

About N'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide

N'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide (PubChem CID 87109063) has the molecular formula C14H16N4O3S5 and a molecular weight of 448.64 g/mol. Its IUPAC name is N'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide.

Molecular Properties

Compound NameN'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide
PubChem CID87109063
Molecular FormulaC14H16N4O3S5
Molecular Weight448.64 g/mol
Exact Mass447.98
IUPAC NameN'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide
SMILESCN(NC(=O)CS(=O)(=O)NN(C)C(=S)c1ccsc1)C(=S)c1ccsc1
InChIInChI=1S/C14H16N4O3S5/c1-17(13(22)10-3-5-24-7-10)15-12(19)9-26(20,21)16-18(2)14(23)11-4-6-25-8-11/h3-8,16H,9H2,1-2H3,(H,15,19)
InChIKeyWJJXIYRVRLPXRM-UHFFFAOYSA-N
XLogP1.59
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.64
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl-[2-[2-methyl-2-(thiophene-2-carbothioyl)hydrazinyl]-2-oxoethyl]sulfonylimino-(thiophene-2-carbothioyl)azanium
CID 90755216
3-[2-(benzenecarbonothioyl)-2-methylhydrazinyl]-3-oxopropanamide
CID 89295759
3-ethyl-1-[[2-[[N-(ethylcarbamothioyl)anilino]sulfamoyl]acetyl]amino]-1-phenylthiourea
CID 46240119
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
CID 18170202
N,N-di(propan-2-yl)thiophene-3-carboxamide
CID 50896326
3-(dimethylamino)-1-thiophen-3-ylbut-2-en-1-one
CID 2764349
2-(diethylsulfamoyl)-N-thiophen-3-ylacetamide
CID 71984168
[2-[4-(dimethylamino)anilino]-2-oxoethyl] thiophene-3-carboxylate
CID 40673339
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide
CID 95167795
N-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
CID 10658035

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide?
The IUPAC name of N'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide (CID 87109063) is N'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide.
What is the SMILES notation for N'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide?
The canonical SMILES for N'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide is CN(NC(=O)CS(=O)(=O)NN(C)C(=S)c1ccsc1)C(=S)c1ccsc1.
What is the InChIKey of N'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide?
The InChIKey is WJJXIYRVRLPXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S5/c1-17(13(22)10-3-5-24-7-10)15-12(19)9-26(20,21)16-18(2)14(23)11-4-6-25-8-11/h3-8,16H,9H2,1-2H3,(H,15,19).
What are the key properties of N'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide?
N'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide has a molecular weight of 448.64 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-[[methyl(thiophene-3-carbothioyl)amino]sulfamoyl]-N'-(thiophene-3-carbothioyl)acetohydrazide is sourced from PubChem (CID 87109063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).