[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C21H25FN6OS — CID 20906766

IUPAC[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)CC1
InChIInChI=1S/C21H25FN6OS/c1-25-10-12-26(13-11-25)19(29)16-6-8-27(9-7-16)21-24-28-14-18(23-20(28)30-21)15-2-4-17(22)5-3-15/h2-5,14,16H,6-13H2,1H3
InChIKeyFVHFASPXLVYVHA-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.59
Rot. Bonds3

About [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 20906766) has the molecular formula C21H25FN6OS and a molecular weight of 428.54 g/mol. Its IUPAC name is [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID20906766
Molecular FormulaC21H25FN6OS
Molecular Weight428.54 g/mol
Exact Mass428.18
IUPAC Name[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)CC1
InChIInChI=1S/C21H25FN6OS/c1-25-10-12-26(13-11-25)19(29)16-6-8-27(9-7-16)21-24-28-14-18(23-20(28)30-21)15-2-4-17(22)5-3-15/h2-5,14,16H,6-13H2,1H3
InChIKeyFVHFASPXLVYVHA-UHFFFAOYSA-N
XLogP2.59
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 20906766) is [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)CC1.
What is the InChIKey of [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FVHFASPXLVYVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6OS/c1-25-10-12-26(13-11-25)19(29)16-6-8-27(9-7-16)21-24-28-14-18(23-20(28)30-21)15-2-4-17(22)5-3-15/h2-5,14,16H,6-13H2,1H3.
What are the key properties of [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 428.54 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 20906766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).