6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole

C17H20FN5S — CID 68658396

IUPAC6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C17H20FN5S/c1-12(2)21-7-9-22(10-8-21)17-20-23-11-15(19-16(23)24-17)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMGEXAFSGUNCIMF-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.13
Rot. Bonds3

About 6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole

6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 68658396) has the molecular formula C17H20FN5S and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID68658396
Molecular FormulaC17H20FN5S
Molecular Weight345.45 g/mol
Exact Mass345.14
IUPAC Name6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C17H20FN5S/c1-12(2)21-7-9-22(10-8-21)17-20-23-11-15(19-16(23)24-17)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMGEXAFSGUNCIMF-UHFFFAOYSA-N
XLogP3.13
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 68658396) is 6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole is CC(C)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is MGEXAFSGUNCIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5S/c1-12(2)21-7-9-22(10-8-21)17-20-23-11-15(19-16(23)24-17)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 345.45 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 68658396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).