2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol

C16H18FN5OS — CID 47053019

IUPAC2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C16H18FN5OS/c17-13-3-1-12(2-4-13)14-11-22-15(18-14)24-16(19-22)21-7-5-20(6-8-21)9-10-23/h1-4,11,23H,5-10H2
InChIKeyOWKJLYQSNZAYKR-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.71
Rot. Bonds4

About 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol

2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol (PubChem CID 47053019) has the molecular formula C16H18FN5OS and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol
PubChem CID47053019
Molecular FormulaC16H18FN5OS
Molecular Weight347.42 g/mol
Exact Mass347.12
IUPAC Name2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C16H18FN5OS/c17-13-3-1-12(2-4-13)14-11-22-15(18-14)24-16(19-22)21-7-5-20(6-8-21)9-10-23/h1-4,11,23H,5-10H2
InChIKeyOWKJLYQSNZAYKR-UHFFFAOYSA-N
XLogP1.71
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol (CID 47053019) is 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1.
What is the InChIKey of 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol?
The InChIKey is OWKJLYQSNZAYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5OS/c17-13-3-1-12(2-4-13)14-11-22-15(18-14)24-16(19-22)21-7-5-20(6-8-21)9-10-23/h1-4,11,23H,5-10H2.
What are the key properties of 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol?
2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol has a molecular weight of 347.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 47053019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).