2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole

C15H16FN5O2S2 — CID 30756083

IUPAC2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cn2nc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)sc2n1
InChIInChI=1S/C15H16FN5O2S2/c1-11-10-21-14(17-11)24-15(18-21)19-5-7-20(8-6-19)25(22,23)13-4-2-3-12(16)9-13/h2-4,9-10H,5-8H2,1H3
InChIKeyUOKFCATXBVTVRI-UHFFFAOYSA-N
MW381.46 g/mol
LogP1.75
Rot. Bonds3

About 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole

2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 30756083) has the molecular formula C15H16FN5O2S2 and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID30756083
Molecular FormulaC15H16FN5O2S2
Molecular Weight381.46 g/mol
Exact Mass381.07
IUPAC Name2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cn2nc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)sc2n1
InChIInChI=1S/C15H16FN5O2S2/c1-11-10-21-14(17-11)24-15(18-21)19-5-7-20(8-6-19)25(22,23)13-4-2-3-12(16)9-13/h2-4,9-10H,5-8H2,1H3
InChIKeyUOKFCATXBVTVRI-UHFFFAOYSA-N
XLogP1.75
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole (CID 30756083) is 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole is Cc1cn2nc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)sc2n1.
What is the InChIKey of 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is UOKFCATXBVTVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2S2/c1-11-10-21-14(17-11)24-15(18-21)19-5-7-20(8-6-19)25(22,23)13-4-2-3-12(16)9-13/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole?
2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 381.46 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 30756083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).