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

C24H24ClN5O2S — CID 20906945

IUPACN-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccc(C)c(Cl)c5)CC4)sc3n2)cc1
InChIInChI=1S/C24H24ClN5O2S/c1-15-3-6-18(13-20(15)25)26-22(31)17-9-11-29(12-10-17)24-28-30-14-21(27-23(30)33-24)16-4-7-19(32-2)8-5-16/h3-8,13-14,17H,9-12H2,1-2H3,(H,26,31)
InChIKeyUPVPUZPJLKJSKU-UHFFFAOYSA-N
MW482.01 g/mol
LogP5.28
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 20906945) has the molecular formula C24H24ClN5O2S and a molecular weight of 482.01 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID20906945
Molecular FormulaC24H24ClN5O2S
Molecular Weight482.01 g/mol
Exact Mass481.13
IUPAC NameN-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccc(C)c(Cl)c5)CC4)sc3n2)cc1
InChIInChI=1S/C24H24ClN5O2S/c1-15-3-6-18(13-20(15)25)26-22(31)17-9-11-29(12-10-17)24-28-30-14-21(27-23(30)33-24)16-4-7-19(32-2)8-5-16/h3-8,13-14,17H,9-12H2,1-2H3,(H,26,31)
InChIKeyUPVPUZPJLKJSKU-UHFFFAOYSA-N
XLogP5.28
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.01
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906944
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-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 20906993
[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 20906917
N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906850
N-[2-(dimethylamino)ethyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906859
N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2672974
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 20906797
1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632
1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 20906896
N-(3-chloro-4-methylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148617
[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate
CID 133495191

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide (CID 20906945) is N-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide is COc1ccc(-c2cn3nc(N4CCC(C(=O)Nc5ccc(C)c(Cl)c5)CC4)sc3n2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is UPVPUZPJLKJSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2S/c1-15-3-6-18(13-20(15)25)26-22(31)17-9-11-29(12-10-17)24-28-30-14-21(27-23(30)33-24)16-4-7-19(32-2)8-5-16/h3-8,13-14,17H,9-12H2,1-2H3,(H,26,31).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 482.01 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20906945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).