1-ethyl-1-(3-methylphenyl)-3-phenylthiourea

C16H18N2S — CID 115577646

IUPAC1-ethyl-1-(3-methylphenyl)-3-phenylthiourea
SMILESCCN(C(=S)Nc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C16H18N2S/c1-3-18(15-11-7-8-13(2)12-15)16(19)17-14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,17,19)
InChIKeyLZERXEYZSYIFKI-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.22
Rot. Bonds3

About 1-ethyl-1-(3-methylphenyl)-3-phenylthiourea

1-ethyl-1-(3-methylphenyl)-3-phenylthiourea (PubChem CID 115577646) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-ethyl-1-(3-methylphenyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-ethyl-1-(3-methylphenyl)-3-phenylthiourea
PubChem CID115577646
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name1-ethyl-1-(3-methylphenyl)-3-phenylthiourea
SMILESCCN(C(=S)Nc1ccccc1)c1cccc(C)c1
InChIInChI=1S/C16H18N2S/c1-3-18(15-11-7-8-13(2)12-15)16(19)17-14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,17,19)
InChIKeyLZERXEYZSYIFKI-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-1-(3-methylphenyl)-3-phenylthiourea 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

3-(3,5-dimethylphenyl)-1-ethyl-1-(3-methylphenyl)thiourea
CID 71821656
3-(3,5-dichlorophenyl)-1-ethyl-1-(3-methylphenyl)thiourea
CID 3841531
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea
CID 5140739
1-(dimethylamino)-1,3-diphenylthiourea
CID 174700414
3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108895597
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
1-[3-(carbamothioylamino)phenyl]-1,3-diethylthiourea
CID 121009711
4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide
CID 39080429
1-(2-hydroxyethyl)-1,3-diphenylthiourea
CID 838392
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
3-(3,5-dimethylphenyl)-1-methyl-1-(3-methylphenyl)thiourea
CID 71821658

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(3-methylphenyl)-3-phenylthiourea?
The IUPAC name of 1-ethyl-1-(3-methylphenyl)-3-phenylthiourea (CID 115577646) is 1-ethyl-1-(3-methylphenyl)-3-phenylthiourea.
What is the SMILES notation for 1-ethyl-1-(3-methylphenyl)-3-phenylthiourea?
The canonical SMILES for 1-ethyl-1-(3-methylphenyl)-3-phenylthiourea is CCN(C(=S)Nc1ccccc1)c1cccc(C)c1.
What is the InChIKey of 1-ethyl-1-(3-methylphenyl)-3-phenylthiourea?
The InChIKey is LZERXEYZSYIFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-3-18(15-11-7-8-13(2)12-15)16(19)17-14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,17,19).
What are the key properties of 1-ethyl-1-(3-methylphenyl)-3-phenylthiourea?
1-ethyl-1-(3-methylphenyl)-3-phenylthiourea has a molecular weight of 270.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(3-methylphenyl)-3-phenylthiourea is sourced from PubChem (CID 115577646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).