1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

C21H22N6O2S2 — CID 20906993

IUPAC1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2cn3nc(N4CCCC(C(=O)Nc5nc(C)cs5)C4)sc3n2)cc1
InChIInChI=1S/C21H22N6O2S2/c1-13-12-30-19(22-13)24-18(28)15-4-3-9-26(10-15)21-25-27-11-17(23-20(27)31-21)14-5-7-16(29-2)8-6-14/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,22,24,28)
InChIKeyXYFHSINFNXGIBM-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.09
Rot. Bonds5

About 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 20906993) has the molecular formula C21H22N6O2S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID20906993
Molecular FormulaC21H22N6O2S2
Molecular Weight454.58 g/mol
Exact Mass454.12
IUPAC Name1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2cn3nc(N4CCCC(C(=O)Nc5nc(C)cs5)C4)sc3n2)cc1
InChIInChI=1S/C21H22N6O2S2/c1-13-12-30-19(22-13)24-18(28)15-4-3-9-26(10-15)21-25-27-11-17(23-20(27)31-21)14-5-7-16(29-2)8-6-14/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,22,24,28)
InChIKeyXYFHSINFNXGIBM-UHFFFAOYSA-N
XLogP4.09
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 20907022
1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 20907014
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylic acid
CID 45106341
N-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906945
N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906944
ethyl (3R)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylate
CID 133494741
N-[(2,3-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
CID 20907112
N-butyl-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
CID 49431572
N-[2-(4-chlorophenyl)ethyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
CID 20907052
N-(3,5-dimethylphenyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906884
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 20907105
N-[(4-methoxyphenyl)methyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893014

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 20906993) is 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is COc1ccc(-c2cn3nc(N4CCCC(C(=O)Nc5nc(C)cs5)C4)sc3n2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is XYFHSINFNXGIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2S2/c1-13-12-30-19(22-13)24-18(28)15-4-3-9-26(10-15)21-25-27-11-17(23-20(27)31-21)14-5-7-16(29-2)8-6-14/h5-8,11-12,15H,3-4,9-10H2,1-2H3,(H,22,24,28).
What are the key properties of 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 20906993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).