1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea

C10H11N3OS — CID 139086841

IUPAC1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea
SMILESCNC(=S)N/N=C/c1ccc(C=O)cc1
InChIInChI=1S/C10H11N3OS/c1-11-10(15)13-12-6-8-2-4-9(7-14)5-3-8/h2-7H,1H3,(H2,11,13,15)/b12-6+
InChIKeyGZBMLZXTILBNAI-WUXMJOGZSA-N
MW221.29 g/mol
LogP0.93
Rot. Bonds3

About 1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea

1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea (PubChem CID 139086841) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea.

Molecular Properties

Compound Name1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea
PubChem CID139086841
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea
SMILESCNC(=S)N/N=C/c1ccc(C=O)cc1
InChIInChI=1S/C10H11N3OS/c1-11-10(15)13-12-6-8-2-4-9(7-14)5-3-8/h2-7H,1H3,(H2,11,13,15)/b12-6+
InChIKeyGZBMLZXTILBNAI-WUXMJOGZSA-N
XLogP0.93
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea 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-[(4-fluorophenyl)methylideneamino]-3-methylthiourea
CID 3426780
1-[(4-tert-butylphenyl)methylideneamino]-3-methylthiourea
CID 3672540
1-[(E)-(4-ethylphenyl)methylideneamino]-3-methylthiourea
CID 7575221
1-methyl-3-(pyridin-4-ylmethylideneamino)thiourea
CID 4109336
[(E)-(4-formylphenyl)methylideneamino]thiourea
CID 139086855
N-methyl-2-[[4-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]ethanethioamide
CID 172956080
1-methyl-3-[(E)-[3-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
CID 6903322
1-[(Z)-(3,5-dichlorophenyl)methylideneamino]-3-methylthiourea
CID 5381070
1-[(E)-[(1E)-1-(4-formylphenyl)-1-(methylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-3-methylthiourea
CID 142539455
1-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]thiourea
CID 5217488
1-[(E)-(3,4-diethoxyphenyl)methylideneamino]-3-methylthiourea
CID 48834861
1,3-bis[(4-methoxyphenyl)methylideneamino]thiourea
CID 712024

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea?
The IUPAC name of 1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea (CID 139086841) is 1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea.
What is the SMILES notation for 1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea?
The canonical SMILES for 1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea is CNC(=S)N/N=C/c1ccc(C=O)cc1.
What is the InChIKey of 1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea?
The InChIKey is GZBMLZXTILBNAI-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-11-10(15)13-12-6-8-2-4-9(7-14)5-3-8/h2-7H,1H3,(H2,11,13,15)/b12-6+.
What are the key properties of 1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea?
1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea has a molecular weight of 221.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea is sourced from PubChem (CID 139086841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).