1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea

C17H18BrClN2S — CID 17300793

IUPAC1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea
SMILESCCc1ccc(C(C)NC(=S)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H18BrClN2S/c1-3-12-4-6-13(7-5-12)11(2)20-17(22)21-16-9-8-14(18)10-15(16)19/h4-11H,3H2,1-2H3,(H2,20,21,22)
InChIKeySIGCCRXOAPKMQM-UHFFFAOYSA-N
MW397.77 g/mol
LogP5.71
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea

1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea (PubChem CID 17300793) has the molecular formula C17H18BrClN2S and a molecular weight of 397.77 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea
PubChem CID17300793
Molecular FormulaC17H18BrClN2S
Molecular Weight397.77 g/mol
Exact Mass396.01
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea
SMILESCCc1ccc(C(C)NC(=S)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H18BrClN2S/c1-3-12-4-6-13(7-5-12)11(2)20-17(22)21-16-9-8-14(18)10-15(16)19/h4-11H,3H2,1-2H3,(H2,20,21,22)
InChIKeySIGCCRXOAPKMQM-UHFFFAOYSA-N
XLogP5.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.77
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)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-(4-bromo-2-chlorophenyl)-3-[(1R)-1-pyridin-4-ylethyl]thiourea
CID 2207489
1-(4-bromo-2-chlorophenyl)-3-(1-phenylpropyl)thiourea
CID 19675328
5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 17327083
1-(4-bromo-2-chlorophenyl)-3-(4-bromo-2-ethylphenyl)thiourea
CID 19687725
1-[1-(4-bromophenyl)ethyl]-3-(4-butyl-2-methylphenyl)thiourea
CID 3843357
1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea
CID 19675054
N-(2,4-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108502742
1-(4-bromo-2-fluorophenyl)-3-[1-(4-methylphenyl)ethyl]thiourea
CID 133215276
N-(4-bromo-2-methylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511113
1-(4-bromo-2-chlorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiourea
CID 2955991
4-bromo-2-chloro-1-[chloro-(4-ethylphenyl)methyl]benzene
CID 55197941
1-(4-bromo-2-chlorophenyl)-3-octylthiourea
CID 19651039

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea (CID 17300793) is 1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea is CCc1ccc(C(C)NC(=S)Nc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea?
The InChIKey is SIGCCRXOAPKMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2S/c1-3-12-4-6-13(7-5-12)11(2)20-17(22)21-16-9-8-14(18)10-15(16)19/h4-11H,3H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea?
1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea has a molecular weight of 397.77 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea is sourced from PubChem (CID 17300793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).