2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile

C20H20N6S — CID 178050698

IUPAC2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile
SMILESCc1c(C#N)c(-c2cn3cc(C4CCNCC4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C20H20N6S/c1-12-16(8-21)15(7-14-9-25(2)24-19(12)14)18-11-26-10-17(23-20(26)27-18)13-3-5-22-6-4-13/h7,9-11,13,22H,3-6H2,1-2H3
InChIKeyBAWVNMZAJPDLFG-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.60
Rot. Bonds2

About 2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile

2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile (PubChem CID 178050698) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile.

Molecular Properties

Compound Name2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile
PubChem CID178050698
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile
SMILESCc1c(C#N)c(-c2cn3cc(C4CCNCC4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C20H20N6S/c1-12-16(8-21)15(7-14-9-25(2)24-19(12)14)18-11-26-10-17(23-20(26)27-18)13-3-5-22-6-4-13/h7,9-11,13,22H,3-6H2,1-2H3
InChIKeyBAWVNMZAJPDLFG-UHFFFAOYSA-N
XLogP3.60
TPSA70.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile with MolForge

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Related Compounds

tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178050808
6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050596
2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050953
2-(6-fluoro-2,7-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 178050881
5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile
CID 170593538
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050866
2-[2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-7-boraspiro[3.5]nonane-7-carbonitrile
CID 178050799
4-[2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,6-dimethylborinane-1-carbonitrile
CID 178050741
6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050682
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050785
2-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178051054
2-(7-ethynyl-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 178051151

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile?
The IUPAC name of 2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile (CID 178050698) is 2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile.
What is the SMILES notation for 2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile?
The canonical SMILES for 2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile is Cc1c(C#N)c(-c2cn3cc(C4CCNCC4)nc3s2)cc2cn(C)nc12.
What is the InChIKey of 2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile?
The InChIKey is BAWVNMZAJPDLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S/c1-12-16(8-21)15(7-14-9-25(2)24-19(12)14)18-11-26-10-17(23-20(26)27-18)13-3-5-22-6-4-13/h7,9-11,13,22H,3-6H2,1-2H3.
What are the key properties of 2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile?
2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile has a molecular weight of 376.49 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile is sourced from PubChem (CID 178050698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).