N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide

C20H19N5OS2 — CID 53206328

IUPACN-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1c(-c2ccccc2)nc2sc(N3CCCCC3)nn12)c1cccs1
InChIInChI=1S/C20H19N5OS2/c26-18(15-10-7-13-27-15)22-17-16(14-8-3-1-4-9-14)21-19-25(17)23-20(28-19)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,22,26)
InChIKeyYIGOENYZAWFJJB-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.76
Rot. Bonds4

About N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide

N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide (PubChem CID 53206328) has the molecular formula C20H19N5OS2 and a molecular weight of 409.54 g/mol. Its IUPAC name is N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide
PubChem CID53206328
Molecular FormulaC20H19N5OS2
Molecular Weight409.54 g/mol
Exact Mass409.10
IUPAC NameN-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1c(-c2ccccc2)nc2sc(N3CCCCC3)nn12)c1cccs1
InChIInChI=1S/C20H19N5OS2/c26-18(15-10-7-13-27-15)22-17-16(14-8-3-1-4-9-14)21-19-25(17)23-20(28-19)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,22,26)
InChIKeyYIGOENYZAWFJJB-UHFFFAOYSA-N
XLogP4.76
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-{2-[4-methyl-5-({2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}-2-thiophenecarboxamide
CID 9542913
N-(2-{2-Phenyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL}ethyl)thiophene-2-carboxamide
CID 6624241
3-Phenyl-2-[6-phenyl-2-(2-thienyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]thiazolidin-4-one
CID 15954494
6-Phenyl-5-(1-piperidylmethyl)-2-(2-thienyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 15954502
N-(3-methyl-1-(4-phenylthiazol-2-yl)-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 25281575
N-{1-[3-Methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-D][1,3]thiazol-5-YL]piperidin-4-YL}thiophene-2-carboxamide
CID 53198129
N-{1-[3-Methyl-1-(3-methylphenyl)-1H-pyrazolo[3,4-D][1,3]thiazol-5-YL]piperidin-4-YL}thiophene-2-carboxamide
CID 53198201
N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-6-(pyrrolidin-1-yl)pyridazine-3-carboxamide
CID 71778520
1-[6-(4-Fluorophenyl)imidazo[2,1-B][1,3,4]thiadiazol-2-YL]-N-[(thiophen-2-YL)methyl]piperidine-4-carboxamide
CID 20906809
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(thien-2-ylmethyl)piperidine-3-carboxamide
CID 20907105
4-[(6-Phenyl-2-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]morpholine
CID 73946045
N-{2-[2-(4-Fluorophenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}thiophene-2-carboxamide
CID 7287081

Frequently Asked Questions

What is the IUPAC name of N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide (CID 53206328) is N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide is O=C(Nc1c(-c2ccccc2)nc2sc(N3CCCCC3)nn12)c1cccs1.
What is the InChIKey of N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide?
The InChIKey is YIGOENYZAWFJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS2/c26-18(15-10-7-13-27-15)22-17-16(14-8-3-1-4-9-14)21-19-25(17)23-20(28-19)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,22,26).
What are the key properties of N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide?
N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide has a molecular weight of 409.54 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53206328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).