1-amino-3-[4-(aminomethyl)phenyl]thiourea

C8H12N4S — CID 151819170

IUPAC1-amino-3-[4-(aminomethyl)phenyl]thiourea
SMILESNCc1ccc(NC(=S)NN)cc1
InChIInChI=1S/C8H12N4S/c9-5-6-1-3-7(4-2-6)11-8(13)12-10/h1-4H,5,9-10H2,(H2,11,12,13)
InChIKeySCGMELINQCLRHU-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.31
Rot. Bonds2

About 1-amino-3-[4-(aminomethyl)phenyl]thiourea

1-amino-3-[4-(aminomethyl)phenyl]thiourea (PubChem CID 151819170) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 1-amino-3-[4-(aminomethyl)phenyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[4-(aminomethyl)phenyl]thiourea
PubChem CID151819170
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name1-amino-3-[4-(aminomethyl)phenyl]thiourea
SMILESNCc1ccc(NC(=S)NN)cc1
InChIInChI=1S/C8H12N4S/c9-5-6-1-3-7(4-2-6)11-8(13)12-10/h1-4H,5,9-10H2,(H2,11,12,13)
InChIKeySCGMELINQCLRHU-UHFFFAOYSA-N
XLogP0.31
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-3-[4-(aminomethyl)phenyl]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-amino-3-[4-(methoxymethyl)phenyl]thiourea
CID 130496417
1-amino-3-(4-bromophenyl)thiourea
CID 2735617
1-amino-3-(4-iodophenyl)thiourea
CID 2759372
1-amino-3-(4-phenoxyphenyl)thiourea
CID 2760348
1-amino-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 2732842
1-(aminomethyl)-3-(4-chlorophenyl)thiourea
CID 57365425
N-[4-(aminomethyl)phenyl]prop-2-enamide
CID 82503451
1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
CID 68938927
N-[4-(aminomethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 110483778
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
CID 110480064
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-(aminomethyl)phenyl]thiourea?
The IUPAC name of 1-amino-3-[4-(aminomethyl)phenyl]thiourea (CID 151819170) is 1-amino-3-[4-(aminomethyl)phenyl]thiourea.
What is the SMILES notation for 1-amino-3-[4-(aminomethyl)phenyl]thiourea?
The canonical SMILES for 1-amino-3-[4-(aminomethyl)phenyl]thiourea is NCc1ccc(NC(=S)NN)cc1.
What is the InChIKey of 1-amino-3-[4-(aminomethyl)phenyl]thiourea?
The InChIKey is SCGMELINQCLRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c9-5-6-1-3-7(4-2-6)11-8(13)12-10/h1-4H,5,9-10H2,(H2,11,12,13).
What are the key properties of 1-amino-3-[4-(aminomethyl)phenyl]thiourea?
1-amino-3-[4-(aminomethyl)phenyl]thiourea has a molecular weight of 196.28 g/mol, XLogP of 0.31, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-(aminomethyl)phenyl]thiourea is sourced from PubChem (CID 151819170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).