6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole

C21H25N5OS — CID 178050946

IUPAC6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
SMILESCOc1cc(-c2cn3cc(C4C[C@H](C)N[C@@H](C)C4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C21H25N5OS/c1-12-5-14(6-13(2)22-12)17-10-26-11-19(28-21(26)23-17)15-7-16-9-25(3)24-20(16)18(8-15)27-4/h7-14,22H,5-6H2,1-4H3/t12-,13-/m0/s1
InChIKeyKUOYJFNTFZKHIF-STQMWFEESA-N
MW395.53 g/mol
LogP4.20
Rot. Bonds3

About 6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole

6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 178050946) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID178050946
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
SMILESCOc1cc(-c2cn3cc(C4C[C@H](C)N[C@@H](C)C4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C21H25N5OS/c1-12-5-14(6-13(2)22-12)17-10-26-11-19(28-21(26)23-17)15-7-16-9-25(3)24-20(16)18(8-15)27-4/h7-14,22H,5-6H2,1-4H3/t12-,13-/m0/s1
InChIKeyKUOYJFNTFZKHIF-STQMWFEESA-N
XLogP4.20
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,6-dimethylborinane-1-carbonitrile
CID 178050741
tert-butyl (2S,6R)-4-[2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,6-dimethylpiperidine-1-carboxylate
CID 178050612
2-(7-methoxy-2-methylindazol-5-yl)-6-methylimidazo[2,1-b][1,3]thiazole
CID 178050629
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
6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050682
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
tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178050551
tert-butyl 4-[2-(7-ethyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178051074
tert-butyl 4-[2-[2-methyl-7-(methylamino)indazol-5-yl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178051083
4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile
CID 178050818
2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile
CID 178050698

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole (CID 178050946) is 6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole is COc1cc(-c2cn3cc(C4C[C@H](C)N[C@@H](C)C4)nc3s2)cc2cn(C)nc12.
What is the InChIKey of 6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is KUOYJFNTFZKHIF-STQMWFEESA-N. The full InChI is InChI=1S/C21H25N5OS/c1-12-5-14(6-13(2)22-12)17-10-26-11-19(28-21(26)23-17)15-7-16-9-25(3)24-20(16)18(8-15)27-4/h7-14,22H,5-6H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of 6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole?
6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 395.53 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 178050946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).