1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea

C18H22ClN3S — CID 3584245

IUPAC1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea
SMILESCCN(CCNC(=S)Nc1ccccc1Cl)c1cccc(C)c1
InChIInChI=1S/C18H22ClN3S/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyGJXPCHKRJCNCCW-UHFFFAOYSA-N
MW347.92 g/mol
LogP4.46
Rot. Bonds6

About 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea

1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea (PubChem CID 3584245) has the molecular formula C18H22ClN3S and a molecular weight of 347.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea
PubChem CID3584245
Molecular FormulaC18H22ClN3S
Molecular Weight347.92 g/mol
Exact Mass347.12
IUPAC Name1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea
SMILESCCN(CCNC(=S)Nc1ccccc1Cl)c1cccc(C)c1
InChIInChI=1S/C18H22ClN3S/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyGJXPCHKRJCNCCW-UHFFFAOYSA-N
XLogP4.46
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.92
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_B(9)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]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-(2-chlorophenyl)-3-[2-(N,4-dimethylanilino)ethyl]thiourea
CID 100753704
1-(3-chloro-2-methylphenyl)-3-[2-(diethylamino)ethyl]thiourea
CID 8656190
1-(3-chloro-2-methylphenyl)-3-[2-(dimethylamino)ethyl]thiourea
CID 8668575
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
1-[2-(N-ethyl-3-methylanilino)ethyl]-2,3-dimethylguanidine
CID 110919596
1-(2-chlorophenyl)-3-nonylthiourea
CID 19651087
1-(2,6-diethylphenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3741166
1-(3-bromophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
CID 3498030
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]thiourea
CID 100753377
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea (CID 3584245) is 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea is CCN(CCNC(=S)Nc1ccccc1Cl)c1cccc(C)c1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea?
The InChIKey is GJXPCHKRJCNCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3S/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea?
1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea has a molecular weight of 347.92 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]thiourea is sourced from PubChem (CID 3584245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).