1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea

C15H13ClFN3S — CID 19703993

IUPAC1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea
SMILESFc1ccccc1C1CC1NC(=S)Nc1ncccc1Cl
InChIInChI=1S/C15H13ClFN3S/c16-11-5-3-7-18-14(11)20-15(21)19-13-8-10(13)9-4-1-2-6-12(9)17/h1-7,10,13H,8H2,(H2,18,19,20,21)
InChIKeyVRFOKLVTRAGOTE-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.72
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea

1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea (PubChem CID 19703993) has the molecular formula C15H13ClFN3S and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea
PubChem CID19703993
Molecular FormulaC15H13ClFN3S
Molecular Weight321.81 g/mol
Exact Mass321.05
IUPAC Name1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea
SMILESFc1ccccc1C1CC1NC(=S)Nc1ncccc1Cl
InChIInChI=1S/C15H13ClFN3S/c16-11-5-3-7-18-14(11)20-15(21)19-13-8-10(13)9-4-1-2-6-12(9)17/h1-7,10,13H,8H2,(H2,18,19,20,21)
InChIKeyVRFOKLVTRAGOTE-UHFFFAOYSA-N
XLogP3.72
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea 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-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea (CID 19703993) is 1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea is Fc1ccccc1C1CC1NC(=S)Nc1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea?
The InChIKey is VRFOKLVTRAGOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3S/c16-11-5-3-7-18-14(11)20-15(21)19-13-8-10(13)9-4-1-2-6-12(9)17/h1-7,10,13H,8H2,(H2,18,19,20,21).
What are the key properties of 1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea?
1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea has a molecular weight of 321.81 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)cyclopropyl]thiourea is sourced from PubChem (CID 19703993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).