5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole

C15H19FN4O2S — CID 133348216

IUPAC5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1
InChIInChI=1S/C15H19FN4O2S/c1-21-10-14-17-15(23-18-14)20-7-5-19(6-8-20)11-3-4-13(22-2)12(16)9-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyGVEDPBLBJPPSOQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.16
Rot. Bonds5

About 5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole

5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (PubChem CID 133348216) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
PubChem CID133348216
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1
InChIInChI=1S/C15H19FN4O2S/c1-21-10-14-17-15(23-18-14)20-7-5-19(6-8-20)11-3-4-13(22-2)12(16)9-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyGVEDPBLBJPPSOQ-UHFFFAOYSA-N
XLogP2.16
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (CID 133348216) is 5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is COCc1nsc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1.
What is the InChIKey of 5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The InChIKey is GVEDPBLBJPPSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-21-10-14-17-15(23-18-14)20-7-5-19(6-8-20)11-3-4-13(22-2)12(16)9-11/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole has a molecular weight of 338.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 133348216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).