2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide

C21H28N6OS — CID 55544817

IUPAC2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
SMILESCC(C)(C)c1cn2nc(NC3CCN(CC(=O)Nc4ccccc4)CC3)sc2n1
InChIInChI=1S/C21H28N6OS/c1-21(2,3)17-13-27-20(24-17)29-19(25-27)23-16-9-11-26(12-10-16)14-18(28)22-15-7-5-4-6-8-15/h4-8,13,16H,9-12,14H2,1-3H3,(H,22,28)(H,23,25)
InChIKeyGUFMSNHLIANPOV-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.60
Rot. Bonds5

About 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide

2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide (PubChem CID 55544817) has the molecular formula C21H28N6OS and a molecular weight of 412.56 g/mol. Its IUPAC name is 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
PubChem CID55544817
Molecular FormulaC21H28N6OS
Molecular Weight412.56 g/mol
Exact Mass412.20
IUPAC Name2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
SMILESCC(C)(C)c1cn2nc(NC3CCN(CC(=O)Nc4ccccc4)CC3)sc2n1
InChIInChI=1S/C21H28N6OS/c1-21(2,3)17-13-27-20(24-17)29-19(25-27)23-16-9-11-26(12-10-16)14-18(28)22-15-7-5-4-6-8-15/h4-8,13,16H,9-12,14H2,1-3H3,(H,22,28)(H,23,25)
InChIKeyGUFMSNHLIANPOV-UHFFFAOYSA-N
XLogP3.60
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 133489053
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
2-[4-[(4-methylquinolin-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 134006987
2-(4-ethoxypiperidin-1-yl)-N-phenylacetamide
CID 47358518
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149812
2-[4-[acetyl(ethyl)amino]piperidin-1-yl]-N-phenylacetamide
CID 70256212
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16589774
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 16613362

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide (CID 55544817) is 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide is CC(C)(C)c1cn2nc(NC3CCN(CC(=O)Nc4ccccc4)CC3)sc2n1.
What is the InChIKey of 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide?
The InChIKey is GUFMSNHLIANPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6OS/c1-21(2,3)17-13-27-20(24-17)29-19(25-27)23-16-9-11-26(12-10-16)14-18(28)22-15-7-5-4-6-8-15/h4-8,13,16H,9-12,14H2,1-3H3,(H,22,28)(H,23,25).
What are the key properties of 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide?
2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide has a molecular weight of 412.56 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 55544817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).