1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea

C19H24FN3S — CID 53364968

IUPAC1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea
SMILESCCN(CC)c1ccc(NC(=S)Nc2ccc(C)cc2F)c(C)c1
InChIInChI=1S/C19H24FN3S/c1-5-23(6-2)15-8-10-17(14(4)12-15)21-19(24)22-18-9-7-13(3)11-16(18)20/h7-12H,5-6H2,1-4H3,(H2,21,22,24)
InChIKeyHHINRXFCVSZGDK-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.10
Rot. Bonds5

About 1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea

1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea (PubChem CID 53364968) has the molecular formula C19H24FN3S and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea
PubChem CID53364968
Molecular FormulaC19H24FN3S
Molecular Weight345.49 g/mol
Exact Mass345.17
IUPAC Name1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea
SMILESCCN(CC)c1ccc(NC(=S)Nc2ccc(C)cc2F)c(C)c1
InChIInChI=1S/C19H24FN3S/c1-5-23(6-2)15-8-10-17(14(4)12-15)21-19(24)22-18-9-7-13(3)11-16(18)20/h7-12H,5-6H2,1-4H3,(H2,21,22,24)
InChIKeyHHINRXFCVSZGDK-UHFFFAOYSA-N
XLogP5.10
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-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

methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N'-(2-amino-5-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108532401
1-amino-3-(2-fluoro-4-methylphenyl)thiourea
CID 28934803
1-(4-bromo-2-fluorophenyl)-3-[2-(N-ethyl-4-methylanilino)ethyl]thiourea
CID 100753377
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
CID 108522130
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
1-(2-bromophenyl)-3-(2-fluoro-4-methylphenyl)thiourea
CID 53364985
2-bromo-N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]benzamide
CID 22777334
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]-3-iodobenzamide
CID 23096267
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea?
The IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea (CID 53364968) is 1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea.
What is the SMILES notation for 1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea?
The canonical SMILES for 1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea is CCN(CC)c1ccc(NC(=S)Nc2ccc(C)cc2F)c(C)c1.
What is the InChIKey of 1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea?
The InChIKey is HHINRXFCVSZGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3S/c1-5-23(6-2)15-8-10-17(14(4)12-15)21-19(24)22-18-9-7-13(3)11-16(18)20/h7-12H,5-6H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea?
1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea has a molecular weight of 345.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea is sourced from PubChem (CID 53364968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).