1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea

C11H15FN2OS — CID 7941373

IUPAC1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NCc1ccc(F)cc1
InChIInChI=1S/C11H15FN2OS/c1-15-7-6-13-11(16)14-8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H2,13,14,16)
InChIKeyOYERIVKXXHNOSV-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.44
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea

1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea (PubChem CID 7941373) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea
PubChem CID7941373
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NCc1ccc(F)cc1
InChIInChI=1S/C11H15FN2OS/c1-15-7-6-13-11(16)14-8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H2,13,14,16)
InChIKeyOYERIVKXXHNOSV-UHFFFAOYSA-N
XLogP1.44
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea (CID 7941373) is 1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea is COCCNC(=S)NCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea?
The InChIKey is OYERIVKXXHNOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-15-7-6-13-11(16)14-8-9-2-4-10(12)5-3-9/h2-5H,6-8H2,1H3,(H2,13,14,16).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea?
1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea has a molecular weight of 242.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 7941373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).