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

C12H12F2N4O2S2 — CID 126797435

IUPAC5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCN(c2ncns2)CC1
InChIInChI=1S/C12H12F2N4O2S2/c13-9-1-2-10(14)11(7-9)22(19,20)18-5-3-17(4-6-18)12-15-8-16-21-12/h1-2,7-8H,3-6H2
InChIKeyWPARERBTSKXSKE-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.33
Rot. Bonds3

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

5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 126797435) has the molecular formula C12H12F2N4O2S2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
PubChem CID126797435
Molecular FormulaC12H12F2N4O2S2
Molecular Weight346.38 g/mol
Exact Mass346.04
IUPAC Name5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCN(c2ncns2)CC1
InChIInChI=1S/C12H12F2N4O2S2/c13-9-1-2-10(14)11(7-9)22(19,20)18-5-3-17(4-6-18)12-15-8-16-21-12/h1-2,7-8H,3-6H2
InChIKeyWPARERBTSKXSKE-UHFFFAOYSA-N
XLogP1.33
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
CID 53006608
5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133358629
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(1,2,4-triazol-1-yl)pyrimidine
CID 90627011
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 50947923
1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine
CID 133373089
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 38257109
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 70703577
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylquinoline
CID 133467536
3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 122281614
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole (CID 126797435) is 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole is O=S(=O)(c1cc(F)ccc1F)N1CCN(c2ncns2)CC1.
What is the InChIKey of 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is WPARERBTSKXSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2S2/c13-9-1-2-10(14)11(7-9)22(19,20)18-5-3-17(4-6-18)12-15-8-16-21-12/h1-2,7-8H,3-6H2.
What are the key properties of 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 346.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 126797435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).