1-[(3-fluorophenyl)methyl]imidazolidine-2-thione

C10H11FN2S — CID 14653374

IUPAC1-[(3-fluorophenyl)methyl]imidazolidine-2-thione
SMILESFc1cccc(CN2CCNC2=S)c1
InChIInChI=1S/C10H11FN2S/c11-9-3-1-2-8(6-9)7-13-5-4-12-10(13)14/h1-3,6H,4-5,7H2,(H,12,14)
InChIKeyNNDSASCFEHXSQG-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.52
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]imidazolidine-2-thione

1-[(3-fluorophenyl)methyl]imidazolidine-2-thione (PubChem CID 14653374) has the molecular formula C10H11FN2S and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]imidazolidine-2-thione.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]imidazolidine-2-thione
PubChem CID14653374
Molecular FormulaC10H11FN2S
Molecular Weight210.28 g/mol
Exact Mass210.06
IUPAC Name1-[(3-fluorophenyl)methyl]imidazolidine-2-thione
SMILESFc1cccc(CN2CCNC2=S)c1
InChIInChI=1S/C10H11FN2S/c11-9-3-1-2-8(6-9)7-13-5-4-12-10(13)14/h1-3,6H,4-5,7H2,(H,12,14)
InChIKeyNNDSASCFEHXSQG-UHFFFAOYSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(3-fluorophenyl)methyl]imidazolidine-2-thione 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-fluorophenyl)methyl]imidazolidine-2-thione?
The IUPAC name of 1-[(3-fluorophenyl)methyl]imidazolidine-2-thione (CID 14653374) is 1-[(3-fluorophenyl)methyl]imidazolidine-2-thione.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]imidazolidine-2-thione?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]imidazolidine-2-thione is Fc1cccc(CN2CCNC2=S)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]imidazolidine-2-thione?
The InChIKey is NNDSASCFEHXSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2S/c11-9-3-1-2-8(6-9)7-13-5-4-12-10(13)14/h1-3,6H,4-5,7H2,(H,12,14).
What are the key properties of 1-[(3-fluorophenyl)methyl]imidazolidine-2-thione?
1-[(3-fluorophenyl)methyl]imidazolidine-2-thione has a molecular weight of 210.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]imidazolidine-2-thione is sourced from PubChem (CID 14653374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).