6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole

C21H23N5S — CID 178050682

IUPAC6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
SMILESCc1cc(-c2cn3cc(C4CC5(CCNC5)C4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C21H23N5S/c1-13-5-14(6-15-9-25(2)24-19(13)15)18-11-26-10-17(23-20(26)27-18)16-7-21(8-16)3-4-22-12-21/h5-6,9-11,16,22H,3-4,7-8,12H2,1-2H3
InChIKeyPOQJAJNRJYUROE-UHFFFAOYSA-N
MW377.52 g/mol
LogP4.12
Rot. Bonds2

About 6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole

6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 178050682) has the molecular formula C21H23N5S and a molecular weight of 377.52 g/mol. Its IUPAC name is 6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID178050682
Molecular FormulaC21H23N5S
Molecular Weight377.52 g/mol
Exact Mass377.17
IUPAC Name6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
SMILESCc1cc(-c2cn3cc(C4CC5(CCNC5)C4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C21H23N5S/c1-13-5-14(6-15-9-25(2)24-19(13)15)18-11-26-10-17(23-20(26)27-18)16-7-21(8-16)3-4-22-12-21/h5-6,9-11,16,22H,3-4,7-8,12H2,1-2H3
InChIKeyPOQJAJNRJYUROE-UHFFFAOYSA-N
XLogP4.12
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole (CID 178050682) is 6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole is Cc1cc(-c2cn3cc(C4CC5(CCNC5)C4)nc3s2)cc2cn(C)nc12.
What is the InChIKey of 6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is POQJAJNRJYUROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5S/c1-13-5-14(6-15-9-25(2)24-19(13)15)18-11-26-10-17(23-20(26)27-18)16-7-21(8-16)3-4-22-12-21/h5-6,9-11,16,22H,3-4,7-8,12H2,1-2H3.
What are the key properties of 6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole?
6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 377.52 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-azaspiro[3.4]octan-2-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 178050682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).