1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea

C19H21F3N2S — CID 5218719

IUPAC1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea
SMILESCCN(C(=S)Nc1ccccc1)C(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2S/c1-3-24(18(25)23-17-10-5-4-6-11-17)14(2)12-15-8-7-9-16(13-15)19(20,21)22/h4-11,13-14H,3,12H2,1-2H3,(H,23,25)
InChIKeyWGTJOZNUHWRJIN-UHFFFAOYSA-N
MW366.45 g/mol
LogP5.36
Rot. Bonds5

About 1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea

1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea (PubChem CID 5218719) has the molecular formula C19H21F3N2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea.

Molecular Properties

Compound Name1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea
PubChem CID5218719
Molecular FormulaC19H21F3N2S
Molecular Weight366.45 g/mol
Exact Mass366.14
IUPAC Name1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea
SMILESCCN(C(=S)Nc1ccccc1)C(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N2S/c1-3-24(18(25)23-17-10-5-4-6-11-17)14(2)12-15-8-7-9-16(13-15)19(20,21)22/h4-11,13-14H,3,12H2,1-2H3,(H,23,25)
InChIKeyWGTJOZNUHWRJIN-UHFFFAOYSA-N
XLogP5.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.45
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron
CID 175261981
(2R)-N-phenyl-2-[(R)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
CID 95330395
1-[[4-(dimethylamino)phenyl]methyl]-1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]thiourea
CID 2796659
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] acetate
CID 3024373
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
1,1-dipentyl-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19653312
1-but-2-enyl-3-phenyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 54473079
3-[ethyl-[2-methyl-3-[3-(trifluoromethyl)phenyl]propanoyl]amino]propanoic acid
CID 119191026
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea?
The IUPAC name of 1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea (CID 5218719) is 1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea.
What is the SMILES notation for 1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea?
The canonical SMILES for 1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea is CCN(C(=S)Nc1ccccc1)C(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea?
The InChIKey is WGTJOZNUHWRJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2S/c1-3-24(18(25)23-17-10-5-4-6-11-17)14(2)12-15-8-7-9-16(13-15)19(20,21)22/h4-11,13-14H,3,12H2,1-2H3,(H,23,25).
What are the key properties of 1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea?
1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea has a molecular weight of 366.45 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenyl-1-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]thiourea is sourced from PubChem (CID 5218719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).