1-(2-fluorophenyl)-3-pyridin-3-ylthiourea

C12H10FN3S — CID 3550899

IUPAC1-(2-fluorophenyl)-3-pyridin-3-ylthiourea
SMILESFc1ccccc1NC(=S)Nc1cccnc1
InChIInChI=1S/C12H10FN3S/c13-10-5-1-2-6-11(10)16-12(17)15-9-4-3-7-14-8-9/h1-8H,(H2,15,16,17)
InChIKeyBTMYAJSDKGOWPM-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.03
Rot. Bonds2

About 1-(2-fluorophenyl)-3-pyridin-3-ylthiourea

1-(2-fluorophenyl)-3-pyridin-3-ylthiourea (PubChem CID 3550899) has the molecular formula C12H10FN3S and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-pyridin-3-ylthiourea
PubChem CID3550899
Molecular FormulaC12H10FN3S
Molecular Weight247.30 g/mol
Exact Mass247.06
IUPAC Name1-(2-fluorophenyl)-3-pyridin-3-ylthiourea
SMILESFc1ccccc1NC(=S)Nc1cccnc1
InChIInChI=1S/C12H10FN3S/c13-10-5-1-2-6-11(10)16-12(17)15-9-4-3-7-14-8-9/h1-8H,(H2,15,16,17)
InChIKeyBTMYAJSDKGOWPM-UHFFFAOYSA-N
XLogP3.03
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-fluorophenyl)-3-pyridin-3-ylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-pyridin-3-ylthiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-pyridin-3-ylthiourea (CID 3550899) is 1-(2-fluorophenyl)-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-pyridin-3-ylthiourea is Fc1ccccc1NC(=S)Nc1cccnc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-pyridin-3-ylthiourea?
The InChIKey is BTMYAJSDKGOWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3S/c13-10-5-1-2-6-11(10)16-12(17)15-9-4-3-7-14-8-9/h1-8H,(H2,15,16,17).
What are the key properties of 1-(2-fluorophenyl)-3-pyridin-3-ylthiourea?
1-(2-fluorophenyl)-3-pyridin-3-ylthiourea has a molecular weight of 247.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-pyridin-3-ylthiourea is sourced from PubChem (CID 3550899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).