3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole

C15H17FN4O2S2 — CID 133352285

IUPAC3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C15H17FN4O2S2/c16-12-3-5-13(6-4-12)24(21,22)20-9-7-19(8-10-20)15-17-14(18-23-15)11-1-2-11/h3-6,11H,1-2,7-10H2
InChIKeyPMHHQAHZIVSDGV-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.07
Rot. Bonds4

About 3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 133352285) has the molecular formula C15H17FN4O2S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
PubChem CID133352285
Molecular FormulaC15H17FN4O2S2
Molecular Weight368.46 g/mol
Exact Mass368.08
IUPAC Name3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C15H17FN4O2S2/c16-12-3-5-13(6-4-12)24(21,22)20-9-7-19(8-10-20)15-17-14(18-23-15)11-1-2-11/h3-6,11H,1-2,7-10H2
InChIKeyPMHHQAHZIVSDGV-UHFFFAOYSA-N
XLogP2.07
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole (CID 133352285) is 3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole is O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is PMHHQAHZIVSDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S2/c16-12-3-5-13(6-4-12)24(21,22)20-9-7-19(8-10-20)15-17-14(18-23-15)11-1-2-11/h3-6,11H,1-2,7-10H2.
What are the key properties of 3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 368.46 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133352285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).