2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]-1H-quinolin-4-one

C24H19FN6O2S — CID 166193777

IUPAC2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2ccccc2[nH]1)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C24H19FN6O2S/c25-16-7-5-15(6-8-16)20-14-31-23(27-20)34-24(28-31)30-11-9-29(10-12-30)22(33)19-13-21(32)17-3-1-2-4-18(17)26-19/h1-8,13-14H,9-12H2,(H,26,32)
InChIKeyKUQLHLJCKMZGTF-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.40
Rot. Bonds3

About 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]-1H-quinolin-4-one

2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 166193777) has the molecular formula C24H19FN6O2S and a molecular weight of 474.52 g/mol. Its IUPAC name is 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]-1H-quinolin-4-one
PubChem CID166193777
Molecular FormulaC24H19FN6O2S
Molecular Weight474.52 g/mol
Exact Mass474.13
IUPAC Name2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2ccccc2[nH]1)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1
InChIInChI=1S/C24H19FN6O2S/c25-16-7-5-15(6-8-16)20-14-31-23(27-20)34-24(28-31)30-11-9-29(10-12-30)22(33)19-13-21(32)17-3-1-2-4-18(17)26-19/h1-8,13-14H,9-12H2,(H,26,32)
InChIKeyKUQLHLJCKMZGTF-UHFFFAOYSA-N
XLogP3.40
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 133269900
2-amino-1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119860737
3-[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 52674862
2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 47053019
[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 133279942
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 20906770
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20906766
N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine
CID 133272090
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 60538090
N-[4-(1,3-benzothiazol-2-yl)-3-fluorophenyl]-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-oxoacetamide
CID 166354011
N-cyclopentyl-2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]acetamide
CID 55915881

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]-1H-quinolin-4-one (CID 166193777) is 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]-1H-quinolin-4-one is O=C(c1cc(=O)c2ccccc2[nH]1)N1CCN(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]piperazine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is KUQLHLJCKMZGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O2S/c25-16-7-5-15(6-8-16)20-14-31-23(27-20)34-24(28-31)30-11-9-29(10-12-30)22(33)19-13-21(32)17-3-1-2-4-18(17)26-19/h1-8,13-14H,9-12H2,(H,26,32).
What are the key properties of 2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]-1H-quinolin-4-one?
2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 474.52 g/mol, XLogP of 3.40, 3 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]piperazine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 166193777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).