5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole

C20H21FN4OS — CID 163212406

IUPAC5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
SMILESCOc1ccc(N2CCN(Cc3nnsc3-c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H21FN4OS/c1-26-18-8-6-17(7-9-18)25-12-10-24(11-13-25)14-19-20(27-23-22-19)15-2-4-16(21)5-3-15/h2-9H,10-14H2,1H3
InChIKeyOYGVWXKDAWWQIM-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.67
Rot. Bonds5

About 5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole

5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole (PubChem CID 163212406) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
PubChem CID163212406
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole
SMILESCOc1ccc(N2CCN(Cc3nnsc3-c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H21FN4OS/c1-26-18-8-6-17(7-9-18)25-12-10-24(11-13-25)14-19-20(27-23-22-19)15-2-4-16(21)5-3-15/h2-9H,10-14H2,1H3
InChIKeyOYGVWXKDAWWQIM-UHFFFAOYSA-N
XLogP3.67
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 48631704
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
2-N-(4-fluorophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 3163543
1-[3-[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-4-(4-methoxyphenyl)piperazine
CID 15575691
1-(4-methoxyphenyl)-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine
CID 10618724
5-(2-chlorophenyl)-4-[[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methyl]thiadiazole
CID 163212403
5-chloro-4-[(4-phenylpiperazin-1-yl)methyl]thiadiazole
CID 39975318
[4-[(4-phenylpiperazin-1-yl)methyl]thiadiazol-5-yl]hydrazine
CID 62245568
N-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112961478
6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3163546
3-(4-fluorophenyl)-7-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2]thiazolo[4,5-d]pyrimidine
CID 1468978
5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 53054502

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole (CID 163212406) is 5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole is COc1ccc(N2CCN(Cc3nnsc3-c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole?
The InChIKey is OYGVWXKDAWWQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-26-18-8-6-17(7-9-18)25-12-10-24(11-13-25)14-19-20(27-23-22-19)15-2-4-16(21)5-3-15/h2-9H,10-14H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole?
5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole has a molecular weight of 384.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 163212406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).