3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole

C11H11FN2S — CID 162444169

IUPAC3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole
SMILESCCCc1nc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C11H11FN2S/c1-2-3-10-13-11(14-15-10)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3
InChIKeyGFBFADWONVEARH-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.30
Rot. Bonds3

About 3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole

3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole (PubChem CID 162444169) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole
PubChem CID162444169
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole
SMILESCCCc1nc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C11H11FN2S/c1-2-3-10-13-11(14-15-10)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3
InChIKeyGFBFADWONVEARH-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole 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

3-(4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 102618423
5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole
CID 22611069
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
2-(4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191788
5-butyl-3-(4-fluorophenyl)-1H-1,2,4-triazole
CID 22627058
5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine
CID 114205677
2-(4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742681
1-fluoro-4-propylbenzene
CID 2737505
N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62594100
4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole
CID 142101432
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
6-(4-fluorophenyl)-2-propyl-1-benzothiophene
CID 134408894

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole (CID 162444169) is 3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole is CCCc1nc(-c2ccc(F)cc2)ns1.
What is the InChIKey of 3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole?
The InChIKey is GFBFADWONVEARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-2-3-10-13-11(14-15-10)8-4-6-9(12)7-5-8/h4-7H,2-3H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole?
3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole has a molecular weight of 222.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-propyl-1,2,4-thiadiazole is sourced from PubChem (CID 162444169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).