1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea

C16H22F3N3OS — CID 46800433

IUPAC1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea
SMILESFC(F)(F)c1ccc(CCNC(=S)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H22F3N3OS/c17-16(18,19)14-3-1-13(2-4-14)5-6-20-15(24)21-7-8-22-9-11-23-12-10-22/h1-4H,5-12H2,(H2,20,21,24)
InChIKeyGPOHZGMJAWGEDR-UHFFFAOYSA-N
MW361.43 g/mol
LogP2.04
Rot. Bonds6

About 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea

1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea (PubChem CID 46800433) has the molecular formula C16H22F3N3OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea
PubChem CID46800433
Molecular FormulaC16H22F3N3OS
Molecular Weight361.43 g/mol
Exact Mass361.14
IUPAC Name1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea
SMILESFC(F)(F)c1ccc(CCNC(=S)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H22F3N3OS/c17-16(18,19)14-3-1-13(2-4-14)5-6-20-15(24)21-7-8-22-9-11-23-12-10-22/h1-4H,5-12H2,(H2,20,21,24)
InChIKeyGPOHZGMJAWGEDR-UHFFFAOYSA-N
XLogP2.04
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]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

2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111027382
1-[2-(4-chlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669391
2-methyl-1-(2-morpholin-4-ylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111037415
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108503044
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
1-(4-butylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 2192072
1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111295841
2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108994837
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
2-methyl-1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111059502
1-ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111837690
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 2400156

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea (CID 46800433) is 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea is FC(F)(F)c1ccc(CCNC(=S)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea?
The InChIKey is GPOHZGMJAWGEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3OS/c17-16(18,19)14-3-1-13(2-4-14)5-6-20-15(24)21-7-8-22-9-11-23-12-10-22/h1-4H,5-12H2,(H2,20,21,24).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea?
1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea has a molecular weight of 361.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]thiourea is sourced from PubChem (CID 46800433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).