4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine

C23H22N8OS — CID 76547570

IUPAC4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine
SMILESCc1nc(-c2cccc(-c3nc4sccn4c3-c3ccnc(NC4CCCNC4)n3)c2)no1
InChIInChI=1S/C23H22N8OS/c1-14-26-21(30-32-14)16-5-2-4-15(12-16)19-20(31-10-11-33-23(31)29-19)18-7-9-25-22(28-18)27-17-6-3-8-24-13-17/h2,4-5,7,9-12,17,24H,3,6,8,13H2,1H3,(H,25,27,28)
InChIKeyVAZKVGWCOQMERW-UHFFFAOYSA-N
MW458.55 g/mol
LogP4.04
Rot. Bonds5

About 4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine

4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine (PubChem CID 76547570) has the molecular formula C23H22N8OS and a molecular weight of 458.55 g/mol. Its IUPAC name is 4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine
PubChem CID76547570
Molecular FormulaC23H22N8OS
Molecular Weight458.55 g/mol
Exact Mass458.16
IUPAC Name4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine
SMILESCc1nc(-c2cccc(-c3nc4sccn4c3-c3ccnc(NC4CCCNC4)n3)c2)no1
InChIInChI=1S/C23H22N8OS/c1-14-26-21(30-32-14)16-5-2-4-15(12-16)19-20(31-10-11-33-23(31)29-19)18-7-9-25-22(28-18)27-17-6-3-8-24-13-17/h2,4-5,7,9-12,17,24H,3,6,8,13H2,1H3,(H,25,27,28)
InChIKeyVAZKVGWCOQMERW-UHFFFAOYSA-N
XLogP4.04
TPSA106.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine with MolForge

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Related Compounds

[(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone
CID 164628676
N-(3-(5-(2-(4-(4-ethylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2-phenylacetamide
CID 46886325
6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine
CID 68310823
US9670204, 41 N-(6-(4-((1,2,4-oxadiazol-3-yl)methyl)piperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 78428035
4-(6-(3-nitrophenyl)imidazo[2,1-b]thiazol-5-yl)-N-phenylpyrimidin-2-amine
CID 46886312
N-(3-(5-(2-(3-(2-(dimethylamino)ethyl)phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2-phenylacetamide
CID 46886326
[(3R)-3-[[4-(4-methyl-2-phenylimidazol-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 164615225
N-{4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)vinyl]pyrimidin-2-yl}acetamide
CID 44586769
N-[3-[5-[2-(2-methylanilino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-phenylacetamide
CID 49830412
US9670204, 27 N-(1-(2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)acetoyl)pyrrolidin-3-yl)acetamide
CID 78427904
N-[1-(4-pyrimidinyl)ethyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45209107
1-(2-(4-(6-(4-Fluorophenyl)imidazo[2,1-b]thiazol-5-yl)pyrimidin-2-ylamino)ethyl)-3-phenylurea
CID 60147931

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine (CID 76547570) is 4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine is Cc1nc(-c2cccc(-c3nc4sccn4c3-c3ccnc(NC4CCCNC4)n3)c2)no1.
What is the InChIKey of 4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine?
The InChIKey is VAZKVGWCOQMERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8OS/c1-14-26-21(30-32-14)16-5-2-4-15(12-16)19-20(31-10-11-33-23(31)29-19)18-7-9-25-22(28-18)27-17-6-3-8-24-13-17/h2,4-5,7,9-12,17,24H,3,6,8,13H2,1H3,(H,25,27,28).
What are the key properties of 4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine?
4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine has a molecular weight of 458.55 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-piperidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 76547570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).