6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole

C18H22FN5S — CID 90912483

IUPAC6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1c(-c2ccc(F)cc2)nc2sc(N3CCN(C(C)C)CC3)nn12
InChIInChI=1S/C18H22FN5S/c1-12(2)22-8-10-23(11-9-22)18-21-24-13(3)16(20-17(24)25-18)14-4-6-15(19)7-5-14/h4-7,12H,8-11H2,1-3H3
InChIKeyJKFXBEOZTIGDTJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.44
Rot. Bonds3

About 6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole

6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 90912483) has the molecular formula C18H22FN5S and a molecular weight of 359.47 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID90912483
Molecular FormulaC18H22FN5S
Molecular Weight359.47 g/mol
Exact Mass359.16
IUPAC Name6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1c(-c2ccc(F)cc2)nc2sc(N3CCN(C(C)C)CC3)nn12
InChIInChI=1S/C18H22FN5S/c1-12(2)22-8-10-23(11-9-22)18-21-24-13(3)16(20-17(24)25-18)14-4-6-15(19)7-5-14/h4-7,12H,8-11H2,1-3H3
InChIKeyJKFXBEOZTIGDTJ-UHFFFAOYSA-N
XLogP3.44
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-2-methylpiperazine-1-carboxylate
CID 90968648
4-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
CID 166227981
2-ethylsulfanyl-6-(4-fluorophenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209907
N-cycloheptyl-2-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
CID 20972459
5-methyl-6-(4-methylphenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209399
4-[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 50825587
1-[4-[5-(tert-butylamino)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-cyclohexylethanone
CID 50825900
[1-[6-[4-(azocan-1-yl)phenyl]-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 135186116
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole
CID 113225126
2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83092009
N-tert-butyl-6-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-amine
CID 50829803

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 90912483) is 6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole is Cc1c(-c2ccc(F)cc2)nc2sc(N3CCN(C(C)C)CC3)nn12.
What is the InChIKey of 6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is JKFXBEOZTIGDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5S/c1-12(2)22-8-10-23(11-9-22)18-21-24-13(3)16(20-17(24)25-18)14-4-6-15(19)7-5-14/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 359.47 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylpiperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 90912483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).