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

C17H19FN2S — CID 19675054

IUPAC1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea
SMILESCCc1ccc(C(C)NC(=S)Nc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2S/c1-3-13-8-10-14(11-9-13)12(2)19-17(21)20-16-7-5-4-6-15(16)18/h4-12H,3H2,1-2H3,(H2,19,20,21)
InChIKeyDJUYFLFFDPFRQG-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.44
Rot. Bonds4

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

1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea (PubChem CID 19675054) has the molecular formula C17H19FN2S and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea
PubChem CID19675054
Molecular FormulaC17H19FN2S
Molecular Weight302.42 g/mol
Exact Mass302.13
IUPAC Name1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea
SMILESCCc1ccc(C(C)NC(=S)Nc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2S/c1-3-13-8-10-14(11-9-13)12(2)19-17(21)20-16-7-5-4-6-15(16)18/h4-12H,3H2,1-2H3,(H2,19,20,21)
InChIKeyDJUYFLFFDPFRQG-UHFFFAOYSA-N
XLogP4.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.44
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-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)thiourea
CID 8676542
1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512967
1-(2,4-difluorophenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512962
1-(2-fluorophenyl)-3-[(1S)-3-methyl-1-phenylbutyl]thiourea
CID 92693799
1-(2-fluorophenyl)-3-[(2S)-4-phenylbutan-2-yl]thiourea
CID 8668898
1-(2-fluorophenyl)-3-heptan-2-ylthiourea
CID 19650921
1-(4-bromo-2-chlorophenyl)-3-[1-(4-ethylphenyl)ethyl]thiourea
CID 17300793
1-(2-ethylphenyl)-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]thiourea
CID 8562629
1-(2-methylsulfanylphenyl)-3-(1-phenylethyl)thiourea
CID 19648711
1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea
CID 19675086
1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675461
1-cyclopropyl-3-[1-(4-ethylphenyl)ethyl]thiourea
CID 19675096

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea?
The IUPAC name of 1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea (CID 19675054) is 1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea.
What is the SMILES notation for 1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea?
The canonical SMILES for 1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea is CCc1ccc(C(C)NC(=S)Nc2ccccc2F)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea?
The InChIKey is DJUYFLFFDPFRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2S/c1-3-13-8-10-14(11-9-13)12(2)19-17(21)20-16-7-5-4-6-15(16)18/h4-12H,3H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea?
1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea has a molecular weight of 302.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)thiourea is sourced from PubChem (CID 19675054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).