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

C25H28N6OS — CID 135193668

IUPACN-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2cn3nc(N4CCC(C(=O)N(C)CCc5ccncc5)CC4)sc3n2)cc1
InChIInChI=1S/C25H28N6OS/c1-18-3-5-20(6-4-18)22-17-31-24(27-22)33-25(28-31)30-15-10-21(11-16-30)23(32)29(2)14-9-19-7-12-26-13-8-19/h3-8,12-13,17,21H,9-11,14-16H2,1-2H3
InChIKeyLNTPBYCLAXSFFL-UHFFFAOYSA-N
MW460.61 g/mol
LogP4.08
Rot. Bonds6

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

N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 135193668) has the molecular formula C25H28N6OS and a molecular weight of 460.61 g/mol. Its IUPAC name is N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
PubChem CID135193668
Molecular FormulaC25H28N6OS
Molecular Weight460.61 g/mol
Exact Mass460.20
IUPAC NameN-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2cn3nc(N4CCC(C(=O)N(C)CCc5ccncc5)CC4)sc3n2)cc1
InChIInChI=1S/C25H28N6OS/c1-18-3-5-20(6-4-18)22-17-31-24(27-22)33-25(28-31)30-15-10-21(11-16-30)23(32)29(2)14-9-19-7-12-26-13-8-19/h3-8,12-13,17,21H,9-11,14-16H2,1-2H3
InChIKeyLNTPBYCLAXSFFL-UHFFFAOYSA-N
XLogP4.08
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.61
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 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) is N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide is Cc1ccc(-c2cn3nc(N4CCC(C(=O)N(C)CCc5ccncc5)CC4)sc3n2)cc1.
What is the InChIKey of N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is LNTPBYCLAXSFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6OS/c1-18-3-5-20(6-4-18)22-17-31-24(27-22)33-25(28-31)30-15-10-21(11-16-30)23(32)29(2)14-9-19-7-12-26-13-8-19/h3-8,12-13,17,21H,9-11,14-16H2,1-2H3.
What are the key properties of N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 460.61 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 135193668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).