1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea

C11H15FN2OS — CID 2725197

IUPAC1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea
SMILESCC(C)(CO)NC(=S)Nc1ccc(F)cc1
InChIInChI=1S/C11H15FN2OS/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16)
InChIKeyZJXXTWHEVYJPJJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.88
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea

1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea (PubChem CID 2725197) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea
PubChem CID2725197
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea
SMILESCC(C)(CO)NC(=S)Nc1ccc(F)cc1
InChIInChI=1S/C11H15FN2OS/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16)
InChIKeyZJXXTWHEVYJPJJ-UHFFFAOYSA-N
XLogP1.88
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea (CID 2725197) is 1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea is CC(C)(CO)NC(=S)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea?
The InChIKey is ZJXXTWHEVYJPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea?
1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea has a molecular weight of 242.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)thiourea is sourced from PubChem (CID 2725197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).