[(E)-1-(3-aminophenyl)propylideneamino]thiourea

C10H14N4S — CID 25234550

IUPAC[(E)-1-(3-aminophenyl)propylideneamino]thiourea
SMILESCC/C(=N\NC(N)=S)c1cccc(N)c1
InChIInChI=1S/C10H14N4S/c1-2-9(13-14-10(12)15)7-4-3-5-8(11)6-7/h3-6H,2,11H2,1H3,(H3,12,14,15)/b13-9+
InChIKeyHXWJPGHMGGMDHA-UKTHLTGXSA-N
MW222.32 g/mol
LogP1.22
Rot. Bonds3

About [(E)-1-(3-aminophenyl)propylideneamino]thiourea

[(E)-1-(3-aminophenyl)propylideneamino]thiourea (PubChem CID 25234550) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is [(E)-1-(3-aminophenyl)propylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1-(3-aminophenyl)propylideneamino]thiourea
PubChem CID25234550
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name[(E)-1-(3-aminophenyl)propylideneamino]thiourea
SMILESCC/C(=N\NC(N)=S)c1cccc(N)c1
InChIInChI=1S/C10H14N4S/c1-2-9(13-14-10(12)15)7-4-3-5-8(11)6-7/h3-6H,2,11H2,1H3,(H3,12,14,15)/b13-9+
InChIKeyHXWJPGHMGGMDHA-UKTHLTGXSA-N
XLogP1.22
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 [(E)-1-(3-aminophenyl)propylideneamino]thiourea 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

[1-(3,4-dimethoxyphenyl)propylideneamino]thiourea
CID 915555
[(Z)-1-(2-ethylphenyl)propylideneamino]thiourea
CID 121010367
[(E)-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylethylidene]amino]thiourea
CID 6340889
[1-(4-amino-3-methylphenyl)propylideneamino]urea
CID 130155098
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
(1-phenylethylideneamino)thiourea
CID 912962
[(Z)-[2-amino-1-(3-nitrophenyl)ethylidene]amino]thiourea;hydrobromide
CID 73355257
[(3-chloro-1-phenylpropylidene)amino]thiourea
CID 174499987
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
[[(3-benzylphenyl)-phenylmethylidene]amino]thiourea;ethane
CID 158634364
[(E)-[(3-bromophenyl)-(4-bromophenyl)methylidene]amino]thiourea
CID 46232850
4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid
CID 3038095

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(3-aminophenyl)propylideneamino]thiourea?
The IUPAC name of [(E)-1-(3-aminophenyl)propylideneamino]thiourea (CID 25234550) is [(E)-1-(3-aminophenyl)propylideneamino]thiourea.
What is the SMILES notation for [(E)-1-(3-aminophenyl)propylideneamino]thiourea?
The canonical SMILES for [(E)-1-(3-aminophenyl)propylideneamino]thiourea is CC/C(=N\NC(N)=S)c1cccc(N)c1.
What is the InChIKey of [(E)-1-(3-aminophenyl)propylideneamino]thiourea?
The InChIKey is HXWJPGHMGGMDHA-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H14N4S/c1-2-9(13-14-10(12)15)7-4-3-5-8(11)6-7/h3-6H,2,11H2,1H3,(H3,12,14,15)/b13-9+.
What are the key properties of [(E)-1-(3-aminophenyl)propylideneamino]thiourea?
[(E)-1-(3-aminophenyl)propylideneamino]thiourea has a molecular weight of 222.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(3-aminophenyl)propylideneamino]thiourea is sourced from PubChem (CID 25234550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).