1-cyclopentyl-3-(2-fluorophenyl)thiourea

C12H15FN2S — CID 883393

IUPAC1-cyclopentyl-3-(2-fluorophenyl)thiourea
SMILESFc1ccccc1NC(=S)NC1CCCC1
InChIInChI=1S/C12H15FN2S/c13-10-7-3-4-8-11(10)15-12(16)14-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,14,15,16)
InChIKeyXISCPSQNSZXYFR-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.05
Rot. Bonds2

About 1-cyclopentyl-3-(2-fluorophenyl)thiourea

1-cyclopentyl-3-(2-fluorophenyl)thiourea (PubChem CID 883393) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-fluorophenyl)thiourea
PubChem CID883393
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC Name1-cyclopentyl-3-(2-fluorophenyl)thiourea
SMILESFc1ccccc1NC(=S)NC1CCCC1
InChIInChI=1S/C12H15FN2S/c13-10-7-3-4-8-11(10)15-12(16)14-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,14,15,16)
InChIKeyXISCPSQNSZXYFR-UHFFFAOYSA-N
XLogP3.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-cyclopentyl-3-(2-fluorophenyl)thiourea?
The IUPAC name of 1-cyclopentyl-3-(2-fluorophenyl)thiourea (CID 883393) is 1-cyclopentyl-3-(2-fluorophenyl)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(2-fluorophenyl)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(2-fluorophenyl)thiourea is Fc1ccccc1NC(=S)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-fluorophenyl)thiourea?
The InChIKey is XISCPSQNSZXYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c13-10-7-3-4-8-11(10)15-12(16)14-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-(2-fluorophenyl)thiourea?
1-cyclopentyl-3-(2-fluorophenyl)thiourea has a molecular weight of 238.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-fluorophenyl)thiourea is sourced from PubChem (CID 883393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).