1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea

C14H12FIN2S — CID 53365050

IUPAC1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea
SMILESCc1cc(NC(=S)Nc2ccc(I)cc2)ccc1F
InChIInChI=1S/C14H12FIN2S/c1-9-8-12(6-7-13(9)15)18-14(19)17-11-4-2-10(16)3-5-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyKPTGIFKNIQSUGS-UHFFFAOYSA-N
MW386.23 g/mol
LogP4.55
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea

1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea (PubChem CID 53365050) has the molecular formula C14H12FIN2S and a molecular weight of 386.23 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea
PubChem CID53365050
Molecular FormulaC14H12FIN2S
Molecular Weight386.23 g/mol
Exact Mass385.97
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea
SMILESCc1cc(NC(=S)Nc2ccc(I)cc2)ccc1F
InChIInChI=1S/C14H12FIN2S/c1-9-8-12(6-7-13(9)15)18-14(19)17-11-4-2-10(16)3-5-11/h2-8H,1H3,(H2,17,18,19)
InChIKeyKPTGIFKNIQSUGS-UHFFFAOYSA-N
XLogP4.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea with MolForge

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

Launch Full Analysis

Related Compounds

1,3-bis(4-fluoro-3-methylphenyl)thiourea
CID 53365062
1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea
CID 53488583
methyl 4-[(4-fluoro-3-methylphenyl)carbamothioylamino]benzoate
CID 53365035
1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea
CID 53488596
1-ethyl-3-(4-fluoro-3-methylphenyl)thiourea
CID 115610649
1-(3,5-dimethoxyphenyl)-3-(4-fluoro-3-methylphenyl)thiourea
CID 53365022
1-(5-fluoro-2-methylphenyl)-3-(4-iodophenyl)thiourea
CID 53489169
1-(4-fluoro-3-methylphenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53488597
1-(2-chloro-5-fluorophenyl)-3-(4-fluoro-3-methylphenyl)thiourea
CID 53365051
1-(3,4-dimethylphenyl)-3-phenylthiourea
CID 837227
1-(3,4-dimethylphenyl)-3-(2-fluorophenyl)thiourea
CID 977185
4-fluoro-3-methyl-N-prop-1-en-2-ylaniline
CID 142248112

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea (CID 53365050) is 1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea is Cc1cc(NC(=S)Nc2ccc(I)cc2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea?
The InChIKey is KPTGIFKNIQSUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FIN2S/c1-9-8-12(6-7-13(9)15)18-14(19)17-11-4-2-10(16)3-5-11/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea?
1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea has a molecular weight of 386.23 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea is sourced from PubChem (CID 53365050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).