2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole

C20H23N5S — CID 178050706

IUPAC2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCc1cc(-c2cn3c(C)c(C4CCNCC4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C20H23N5S/c1-12-8-15(9-16-10-24(3)23-18(12)16)17-11-25-13(2)19(22-20(25)26-17)14-4-6-21-7-5-14/h8-11,14,21H,4-7H2,1-3H3
InChIKeyCHYKILUWERWFRO-UHFFFAOYSA-N
MW365.51 g/mol
LogP4.03
Rot. Bonds2

About 2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole

2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 178050706) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is 2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
PubChem CID178050706
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCc1cc(-c2cn3c(C)c(C4CCNCC4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C20H23N5S/c1-12-8-15(9-16-10-24(3)23-18(12)16)17-11-25-13(2)19(22-20(25)26-17)14-4-6-21-7-5-14/h8-11,14,21H,4-7H2,1-3H3
InChIKeyCHYKILUWERWFRO-UHFFFAOYSA-N
XLogP4.03
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole (CID 178050706) is 2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole is Cc1cc(-c2cn3c(C)c(C4CCNCC4)nc3s2)cc2cn(C)nc12.
What is the InChIKey of 2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is CHYKILUWERWFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-12-8-15(9-16-10-24(3)23-18(12)16)17-11-25-13(2)19(22-20(25)26-17)14-4-6-21-7-5-14/h8-11,14,21H,4-7H2,1-3H3.
What are the key properties of 2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 365.51 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 178050706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).