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

C18H21N5OS — CID 53206321

IUPACN-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide
SMILESCCC(=O)Nc1c(-c2ccccc2)nc2sc(N3CCCCC3)nn12
InChIInChI=1S/C18H21N5OS/c1-2-14(24)19-16-15(13-9-5-3-6-10-13)20-17-23(16)21-18(25-17)22-11-7-4-8-12-22/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,19,24)
InChIKeyCURLKCSOZPYTLP-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.80
Rot. Bonds4

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

N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide (PubChem CID 53206321) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide
PubChem CID53206321
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide
SMILESCCC(=O)Nc1c(-c2ccccc2)nc2sc(N3CCCCC3)nn12
InChIInChI=1S/C18H21N5OS/c1-2-14(24)19-16-15(13-9-5-3-6-10-13)20-17-23(16)21-18(25-17)22-11-7-4-8-12-22/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,19,24)
InChIKeyCURLKCSOZPYTLP-UHFFFAOYSA-N
XLogP3.80
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide?
The IUPAC name of N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide (CID 53206321) is N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide.
What is the SMILES notation for N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide?
The canonical SMILES for N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide is CCC(=O)Nc1c(-c2ccccc2)nc2sc(N3CCCCC3)nn12.
What is the InChIKey of N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide?
The InChIKey is CURLKCSOZPYTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-2-14(24)19-16-15(13-9-5-3-6-10-13)20-17-23(16)21-18(25-17)22-11-7-4-8-12-22/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,19,24).
What are the key properties of N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide?
N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide has a molecular weight of 355.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide is sourced from PubChem (CID 53206321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).