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

C24H24ClN5OS — CID 20906850

IUPACN-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cn3nc(N4CCC(C(=O)NCc5ccc(Cl)cc5)CC4)sc3n2)cc1
InChIInChI=1S/C24H24ClN5OS/c1-16-2-6-18(7-3-16)21-15-30-23(27-21)32-24(28-30)29-12-10-19(11-13-29)22(31)26-14-17-4-8-20(25)9-5-17/h2-9,15,19H,10-14H2,1H3,(H,26,31)
InChIKeyNWWQTULPEDDLJD-UHFFFAOYSA-N
MW466.01 g/mol
LogP4.95
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 20906850) has the molecular formula C24H24ClN5OS and a molecular weight of 466.01 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID20906850
Molecular FormulaC24H24ClN5OS
Molecular Weight466.01 g/mol
Exact Mass465.14
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cn3nc(N4CCC(C(=O)NCc5ccc(Cl)cc5)CC4)sc3n2)cc1
InChIInChI=1S/C24H24ClN5OS/c1-16-2-6-18(7-3-16)21-15-30-23(27-21)32-24(28-30)29-12-10-19(11-13-29)22(31)26-14-17-4-8-20(25)9-5-17/h2-9,15,19H,10-14H2,1H3,(H,26,31)
InChIKeyNWWQTULPEDDLJD-UHFFFAOYSA-N
XLogP4.95
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.01
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 20906841
N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906863
N-[2-(dimethylamino)ethyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906859
N-[2-(4-chlorophenyl)ethyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
CID 20907052
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-(3,5-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-propylpiperidine-4-carboxamide
CID 20906797
1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclopropylpiperidin-4-amine
CID 133494909
[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate
CID 133495191
N-butyl-N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906834
[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 135186111
N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 135193668

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide (CID 20906850) is N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(-c2cn3nc(N4CCC(C(=O)NCc5ccc(Cl)cc5)CC4)sc3n2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is NWWQTULPEDDLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5OS/c1-16-2-6-18(7-3-16)21-15-30-23(27-21)32-24(28-30)29-12-10-19(11-13-29)22(31)26-14-17-4-8-20(25)9-5-17/h2-9,15,19H,10-14H2,1H3,(H,26,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 466.01 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20906850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).