1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea

C17H18F2N2S — CID 59906680

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea
SMILESFc1cccc(CCNC(=S)NCCc2ccccc2F)c1
InChIInChI=1S/C17H18F2N2S/c18-15-6-3-4-13(12-15)8-10-20-17(22)21-11-9-14-5-1-2-7-16(14)19/h1-7,12H,8-11H2,(H2,20,21,22)
InChIKeyLEWBTDXWGQBCEN-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.21
Rot. Bonds6

About 1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea

1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea (PubChem CID 59906680) has the molecular formula C17H18F2N2S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea
PubChem CID59906680
Molecular FormulaC17H18F2N2S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea
SMILESFc1cccc(CCNC(=S)NCCc2ccccc2F)c1
InChIInChI=1S/C17H18F2N2S/c18-15-6-3-4-13(12-15)8-10-20-17(22)21-11-9-14-5-1-2-7-16(14)19/h1-7,12H,8-11H2,(H2,20,21,22)
InChIKeyLEWBTDXWGQBCEN-UHFFFAOYSA-N
XLogP3.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea
CID 19703456
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methyl]guanidine;hydroiodide
CID 111265832
2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
CID 43565959
1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea
CID 19703423
1-[2-(2,4-difluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine
CID 111786979
1-[2-(2,4-difluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111786978
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
1-[(5-fluoro-2-methylphenyl)methyl]-3-(2-phenylethyl)thiourea
CID 3748869
4-[2-(3-fluorophenyl)ethylcarbamothioylamino]benzamide
CID 18416397
1-[2-(3-fluorophenyl)ethyl]-3-(1H-imidazol-2-yl)thiourea
CID 19703276
1-[2-(3-fluorophenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 3001163
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea (CID 59906680) is 1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea is Fc1cccc(CCNC(=S)NCCc2ccccc2F)c1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea?
The InChIKey is LEWBTDXWGQBCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2S/c18-15-6-3-4-13(12-15)8-10-20-17(22)21-11-9-14-5-1-2-7-16(14)19/h1-7,12H,8-11H2,(H2,20,21,22).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea?
1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea has a molecular weight of 320.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-[2-(3-fluorophenyl)ethyl]thiourea is sourced from PubChem (CID 59906680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).