1-ethanimidoyl-1-(3-methylphenyl)thiourea

C10H13N3S — CID 21420650

IUPAC1-ethanimidoyl-1-(3-methylphenyl)thiourea
SMILES[H]/N=C(\C)N(C(N)=S)c1cccc(C)c1
InChIInChI=1S/C10H13N3S/c1-7-4-3-5-9(6-7)13(8(2)11)10(12)14/h3-6,11H,1-2H3,(H2,12,14)/b11-8+
InChIKeyRHEDAMRXIUECHT-DHZHZOJOSA-N
MW207.30 g/mol
LogP2.04
Rot. Bonds1

About 1-ethanimidoyl-1-(3-methylphenyl)thiourea

1-ethanimidoyl-1-(3-methylphenyl)thiourea (PubChem CID 21420650) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-ethanimidoyl-1-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-ethanimidoyl-1-(3-methylphenyl)thiourea
PubChem CID21420650
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1-ethanimidoyl-1-(3-methylphenyl)thiourea
SMILES[H]/N=C(\C)N(C(N)=S)c1cccc(C)c1
InChIInChI=1S/C10H13N3S/c1-7-4-3-5-9(6-7)13(8(2)11)10(12)14/h3-6,11H,1-2H3,(H2,12,14)/b11-8+
InChIKeyRHEDAMRXIUECHT-DHZHZOJOSA-N
XLogP2.04
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-ethanimidoyl-1-(3-methylphenyl)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

N-methyl-N-(3-methylphenyl)ethanimidamide
CID 63173195
2-(N-ethyl-3-methylanilino)ethanimidamide
CID 61075863
3-(N-ethyl-3-methylanilino)propanimidamide;dihydrochloride
CID 42614728
3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine
CID 115563267
CID 138691650
CID 138691650
2-(N-ethyl-3-methylanilino)benzenecarboximidamide
CID 61075693
1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 44827695
1-(2-ethylphenyl)-1-(3-methylphenyl)guanidine
CID 67555783
3-(N-ethyl-3-methylanilino)propanethioamide
CID 39160770
N-(3,5-dimethylphenyl)-N-methylethanimidamide
CID 63173252
N-methanimidoyl-N-phenylethanimidamide;toluene
CID 144868521
2-(3-methyl-N-methylsulfanylanilino)acetamide
CID 142236942

Frequently Asked Questions

What is the IUPAC name of 1-ethanimidoyl-1-(3-methylphenyl)thiourea?
The IUPAC name of 1-ethanimidoyl-1-(3-methylphenyl)thiourea (CID 21420650) is 1-ethanimidoyl-1-(3-methylphenyl)thiourea.
What is the SMILES notation for 1-ethanimidoyl-1-(3-methylphenyl)thiourea?
The canonical SMILES for 1-ethanimidoyl-1-(3-methylphenyl)thiourea is [H]/N=C(\C)N(C(N)=S)c1cccc(C)c1.
What is the InChIKey of 1-ethanimidoyl-1-(3-methylphenyl)thiourea?
The InChIKey is RHEDAMRXIUECHT-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-4-3-5-9(6-7)13(8(2)11)10(12)14/h3-6,11H,1-2H3,(H2,12,14)/b11-8+.
What are the key properties of 1-ethanimidoyl-1-(3-methylphenyl)thiourea?
1-ethanimidoyl-1-(3-methylphenyl)thiourea has a molecular weight of 207.30 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoyl-1-(3-methylphenyl)thiourea is sourced from PubChem (CID 21420650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).