N-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide

C10H13N5OS — CID 89359427

IUPACN-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide
SMILESC=NN(C(=S)NN)c1cccc(NC(C)=O)c1
InChIInChI=1S/C10H13N5OS/c1-7(16)13-8-4-3-5-9(6-8)15(12-2)10(17)14-11/h3-6H,2,11H2,1H3,(H,13,16)(H,14,17)
InChIKeyLJUQFOTUYSPUQT-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.82
Rot. Bonds3

About N-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide

N-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide (PubChem CID 89359427) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide
PubChem CID89359427
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC NameN-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide
SMILESC=NN(C(=S)NN)c1cccc(NC(C)=O)c1
InChIInChI=1S/C10H13N5OS/c1-7(16)13-8-4-3-5-9(6-8)15(12-2)10(17)14-11/h3-6H,2,11H2,1H3,(H,13,16)(H,14,17)
InChIKeyLJUQFOTUYSPUQT-UHFFFAOYSA-N
XLogP0.82
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[carbamoyl(hydroxy)amino]phenyl]acetamide
CID 141173761
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644
N-[3-(methylideneamino)phenyl]acetamide
CID 21029877
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
N-[3-(1-aminoethylideneamino)phenyl]acetamide
CID 63173502
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-(3-methylphenyl)acetamide
CID 10843
acetohydrazide;N-phenylacetamide;hydrate
CID 174786539
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371

Frequently Asked Questions

What is the IUPAC name of N-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide?
The IUPAC name of N-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide (CID 89359427) is N-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide is C=NN(C(=S)NN)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide?
The InChIKey is LJUQFOTUYSPUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-7(16)13-8-4-3-5-9(6-8)15(12-2)10(17)14-11/h3-6H,2,11H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide?
N-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide has a molecular weight of 251.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[aminocarbamothioyl-(methylideneamino)amino]phenyl]acetamide is sourced from PubChem (CID 89359427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).