5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole

C14H16F2N4O3S2 — CID 133358629

IUPAC5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1
InChIInChI=1S/C14H16F2N4O3S2/c1-23-9-13-17-14(24-18-13)19-4-6-20(7-5-19)25(21,22)12-8-10(15)2-3-11(12)16/h2-3,8H,4-7,9H2,1H3
InChIKeyYDIDOUNYIVFXSF-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.47
Rot. Bonds5

About 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole

5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (PubChem CID 133358629) has the molecular formula C14H16F2N4O3S2 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
PubChem CID133358629
Molecular FormulaC14H16F2N4O3S2
Molecular Weight390.44 g/mol
Exact Mass390.06
IUPAC Name5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1
InChIInChI=1S/C14H16F2N4O3S2/c1-23-9-13-17-14(24-18-13)19-4-6-20(7-5-19)25(21,22)12-8-10(15)2-3-11(12)16/h2-3,8H,4-7,9H2,1H3
InChIKeyYDIDOUNYIVFXSF-UHFFFAOYSA-N
XLogP1.47
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (CID 133358629) is 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is COCc1nsc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1.
What is the InChIKey of 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The InChIKey is YDIDOUNYIVFXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O3S2/c1-23-9-13-17-14(24-18-13)19-4-6-20(7-5-19)25(21,22)12-8-10(15)2-3-11(12)16/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole has a molecular weight of 390.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 133358629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).