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

C22H23N5O2S2 — CID 20907022

IUPAC1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2cn3nc(N4CCCC(C(=O)NCc5cccs5)C4)sc3n2)cc1
InChIInChI=1S/C22H23N5O2S2/c1-29-17-8-6-15(7-9-17)19-14-27-21(24-19)31-22(25-27)26-10-2-4-16(13-26)20(28)23-12-18-5-3-11-30-18/h3,5-9,11,14,16H,2,4,10,12-13H2,1H3,(H,23,28)
InChIKeyRKAVCJKXVQCJRU-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.06
Rot. Bonds6

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

1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 20907022) has the molecular formula C22H23N5O2S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID20907022
Molecular FormulaC22H23N5O2S2
Molecular Weight453.59 g/mol
Exact Mass453.13
IUPAC Name1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESCOc1ccc(-c2cn3nc(N4CCCC(C(=O)NCc5cccs5)C4)sc3n2)cc1
InChIInChI=1S/C22H23N5O2S2/c1-29-17-8-6-15(7-9-17)19-14-27-21(24-19)31-22(25-27)26-10-2-4-16(13-26)20(28)23-12-18-5-3-11-30-18/h3,5-9,11,14,16H,2,4,10,12-13H2,1H3,(H,23,28)
InChIKeyRKAVCJKXVQCJRU-UHFFFAOYSA-N
XLogP4.06
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 20907105
N-[(2,3-dimethoxyphenyl)methyl]-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxamide
CID 20907112
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-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 20906993
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-[(4-methoxyphenyl)methyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide
CID 20893014
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 20907114
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylic acid
CID 45106341
ethyl (3R)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylate
CID 133494741
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 22519605
N-(furan-2-ylmethyl)-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906863

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 20907022) is 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is COc1ccc(-c2cn3nc(N4CCCC(C(=O)NCc5cccs5)C4)sc3n2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is RKAVCJKXVQCJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S2/c1-29-17-8-6-15(7-9-17)19-14-27-21(24-19)31-22(25-27)26-10-2-4-16(13-26)20(28)23-12-18-5-3-11-30-18/h3,5-9,11,14,16H,2,4,10,12-13H2,1H3,(H,23,28).
What are the key properties of 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 20907022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).