1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea

C14H15FN2S2 — CID 3639890

IUPAC1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea
SMILESCC(Cc1cccs1)NC(=S)Nc1ccc(F)cc1
InChIInChI=1S/C14H15FN2S2/c1-10(9-13-3-2-8-19-13)16-14(18)17-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H2,16,17,18)
InChIKeyHDHWHRUHESYHRE-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.80
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea

1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea (PubChem CID 3639890) has the molecular formula C14H15FN2S2 and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea
PubChem CID3639890
Molecular FormulaC14H15FN2S2
Molecular Weight294.42 g/mol
Exact Mass294.07
IUPAC Name1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea
SMILESCC(Cc1cccs1)NC(=S)Nc1ccc(F)cc1
InChIInChI=1S/C14H15FN2S2/c1-10(9-13-3-2-8-19-13)16-14(18)17-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H2,16,17,18)
InChIKeyHDHWHRUHESYHRE-UHFFFAOYSA-N
XLogP3.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
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-thiophen-2-ylpropan-2-yl)thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea (CID 3639890) is 1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea is CC(Cc1cccs1)NC(=S)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea?
The InChIKey is HDHWHRUHESYHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S2/c1-10(9-13-3-2-8-19-13)16-14(18)17-12-6-4-11(15)5-7-12/h2-8,10H,9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea?
1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea has a molecular weight of 294.42 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea is sourced from PubChem (CID 3639890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).