N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide

C19H22FN5OS — CID 53206366

IUPACN-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide
SMILESCCCC(=O)Nc1c(-c2cccc(F)c2)nc2sc(N3CCCCC3)nn12
InChIInChI=1S/C19H22FN5OS/c1-2-7-15(26)21-17-16(13-8-6-9-14(20)12-13)22-18-25(17)23-19(27-18)24-10-4-3-5-11-24/h6,8-9,12H,2-5,7,10-11H2,1H3,(H,21,26)
InChIKeyPKALFSXJNNNIIC-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.33
Rot. Bonds5

About N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide

N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide (PubChem CID 53206366) has the molecular formula C19H22FN5OS and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide
PubChem CID53206366
Molecular FormulaC19H22FN5OS
Molecular Weight387.48 g/mol
Exact Mass387.15
IUPAC NameN-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide
SMILESCCCC(=O)Nc1c(-c2cccc(F)c2)nc2sc(N3CCCCC3)nn12
InChIInChI=1S/C19H22FN5OS/c1-2-7-15(26)21-17-16(13-8-6-9-14(20)12-13)22-18-25(17)23-19(27-18)24-10-4-3-5-11-24/h6,8-9,12H,2-5,7,10-11H2,1H3,(H,21,26)
InChIKeyPKALFSXJNNNIIC-UHFFFAOYSA-N
XLogP4.33
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide
CID 53206321
1-[4-[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 50825689
cyclopentyl-[4-[5-(cyclopentylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methanone
CID 50825777
N-[(2R)-butan-2-yl]-4-[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazine-1-carboxamide
CID 95050342
2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide
CID 53206353
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
5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide
CID 53206327
4-[5-(tert-butylamino)-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 50825416
N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide
CID 53206328
N-tert-butyl-6-(3-fluorophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazol-5-amine
CID 50829765
N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide
CID 53206338
4-[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 50825587

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide?
The IUPAC name of N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide (CID 53206366) is N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide.
What is the SMILES notation for N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide?
The canonical SMILES for N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide is CCCC(=O)Nc1c(-c2cccc(F)c2)nc2sc(N3CCCCC3)nn12.
What is the InChIKey of N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide?
The InChIKey is PKALFSXJNNNIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS/c1-2-7-15(26)21-17-16(13-8-6-9-14(20)12-13)22-18-25(17)23-19(27-18)24-10-4-3-5-11-24/h6,8-9,12H,2-5,7,10-11H2,1H3,(H,21,26).
What are the key properties of N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide?
N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide has a molecular weight of 387.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide is sourced from PubChem (CID 53206366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).