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

C21H20FN5OS2 — CID 20907105

IUPAC1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1
InChIInChI=1S/C21H20FN5OS2/c22-16-7-5-14(6-8-16)18-13-27-20(24-18)30-21(25-27)26-9-1-3-15(12-26)19(28)23-11-17-4-2-10-29-17/h2,4-8,10,13,15H,1,3,9,11-12H2,(H,23,28)
InChIKeyXHRBKIGDAMZUIT-UHFFFAOYSA-N
MW441.56 g/mol
LogP4.19
Rot. Bonds5

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

1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 20907105) has the molecular formula C21H20FN5OS2 and a molecular weight of 441.56 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID20907105
Molecular FormulaC21H20FN5OS2
Molecular Weight441.56 g/mol
Exact Mass441.11
IUPAC Name1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)C1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1
InChIInChI=1S/C21H20FN5OS2/c22-16-7-5-14(6-8-16)18-13-27-20(24-18)30-21(25-27)26-9-1-3-15(12-26)19(28)23-11-17-4-2-10-29-17/h2,4-8,10,13,15H,1,3,9,11-12H2,(H,23,28)
InChIKeyXHRBKIGDAMZUIT-UHFFFAOYSA-N
XLogP4.19
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylic acid
CID 45106341
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 20907114
N-[[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-3-yl]methyl]acetamide
CID 133274885
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 20906797
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-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]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 20906813
(3S)-1-(4-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 1456645
6-(4-fluorophenyl)-2-(3-pyrazol-1-ylpiperidin-1-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 133275736

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 20907105) is 1-[6-(4-fluorophenyl)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-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccs1)C1CCCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)C1.
What is the InChIKey of 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is XHRBKIGDAMZUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5OS2/c22-16-7-5-14(6-8-16)18-13-27-20(24-18)30-21(25-27)26-9-1-3-15(12-26)19(28)23-11-17-4-2-10-29-17/h2,4-8,10,13,15H,1,3,9,11-12H2,(H,23,28).
What are the key properties of 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 20907105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).