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

C19H22FN5O2S — CID 53206358

IUPACN-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1c(-c2cccc(F)c2)nc2sc(N3CCCCC3)nn12
InChIInChI=1S/C19H22FN5O2S/c1-27-11-8-15(26)21-17-16(13-6-5-7-14(20)12-13)22-18-25(17)23-19(28-18)24-9-3-2-4-10-24/h5-7,12H,2-4,8-11H2,1H3,(H,21,26)
InChIKeyBRLXGNLQBXIRPD-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.56
Rot. Bonds6

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

N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-methoxypropanamide (PubChem CID 53206358) has the molecular formula C19H22FN5O2S and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-methoxypropanamide
PubChem CID53206358
Molecular FormulaC19H22FN5O2S
Molecular Weight403.48 g/mol
Exact Mass403.15
IUPAC NameN-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1c(-c2cccc(F)c2)nc2sc(N3CCCCC3)nn12
InChIInChI=1S/C19H22FN5O2S/c1-27-11-8-15(26)21-17-16(13-6-5-7-14(20)12-13)22-18-25(17)23-19(28-18)24-9-3-2-4-10-24/h5-7,12H,2-4,8-11H2,1H3,(H,21,26)
InChIKeyBRLXGNLQBXIRPD-UHFFFAOYSA-N
XLogP3.56
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-3-methoxypropanamide?
The IUPAC name of N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-methoxypropanamide (CID 53206358) is N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-methoxypropanamide?
The canonical SMILES for N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-methoxypropanamide is COCCC(=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]-3-methoxypropanamide?
The InChIKey is BRLXGNLQBXIRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2S/c1-27-11-8-15(26)21-17-16(13-6-5-7-14(20)12-13)22-18-25(17)23-19(28-18)24-9-3-2-4-10-24/h5-7,12H,2-4,8-11H2,1H3,(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]-3-methoxypropanamide?
N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-3-methoxypropanamide has a molecular weight of 403.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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]-3-methoxypropanamide is sourced from PubChem (CID 53206358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).