[2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea

C12H15FN2S — CID 18507861

IUPAC[2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea
SMILESNC(=S)NC(CC1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2S/c13-10-5-3-9(4-6-10)11(15-12(14)16)7-8-1-2-8/h3-6,8,11H,1-2,7H2,(H3,14,15,16)
InChIKeyUXWRDBUXDKDHLM-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.50
Rot. Bonds4

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

[2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea (PubChem CID 18507861) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is [2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea.

Molecular Properties

Compound Name[2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea
PubChem CID18507861
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC Name[2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea
SMILESNC(=S)NC(CC1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2S/c13-10-5-3-9(4-6-10)11(15-12(14)16)7-8-1-2-8/h3-6,8,11H,1-2,7H2,(H3,14,15,16)
InChIKeyUXWRDBUXDKDHLM-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea?
The IUPAC name of [2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea (CID 18507861) is [2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea.
What is the SMILES notation for [2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea?
The canonical SMILES for [2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea is NC(=S)NC(CC1CC1)c1ccc(F)cc1.
What is the InChIKey of [2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea?
The InChIKey is UXWRDBUXDKDHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S/c13-10-5-3-9(4-6-10)11(15-12(14)16)7-8-1-2-8/h3-6,8,11H,1-2,7H2,(H3,14,15,16).
What are the key properties of [2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea?
[2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea has a molecular weight of 238.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-1-(4-fluorophenyl)ethyl]thiourea is sourced from PubChem (CID 18507861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).