1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea

C19H23FN2S — CID 17284516

IUPAC1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea
SMILESCCCc1ccc(C(C)NC(=S)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2S/c1-3-4-15-5-9-17(10-6-15)14(2)22-19(23)21-13-16-7-11-18(20)12-8-16/h5-12,14H,3-4,13H2,1-2H3,(H2,21,22,23)
InChIKeyYQXZCCOOLIHALL-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.50
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea

1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea (PubChem CID 17284516) has the molecular formula C19H23FN2S and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea
PubChem CID17284516
Molecular FormulaC19H23FN2S
Molecular Weight330.47 g/mol
Exact Mass330.16
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea
SMILESCCCc1ccc(C(C)NC(=S)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2S/c1-3-4-15-5-9-17(10-6-15)14(2)22-19(23)21-13-16-7-11-18(20)12-8-16/h5-12,14H,3-4,13H2,1-2H3,(H2,21,22,23)
InChIKeyYQXZCCOOLIHALL-UHFFFAOYSA-N
XLogP4.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.50
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-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675428
1-benzyl-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675515
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 7944842
1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea
CID 19675086
1-propyl-3-[(4-propylphenyl)methyl]thiourea
CID 154931628
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
1-fluoro-4-propylbenzene
CID 2737505
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea (CID 17284516) is 1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea is CCCc1ccc(C(C)NC(=S)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea?
The InChIKey is YQXZCCOOLIHALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2S/c1-3-4-15-5-9-17(10-6-15)14(2)22-19(23)21-13-16-7-11-18(20)12-8-16/h5-12,14H,3-4,13H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea?
1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea has a molecular weight of 330.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[1-(4-propylphenyl)ethyl]thiourea is sourced from PubChem (CID 17284516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).