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

C21H25N5S — CID 178050596

IUPAC6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
SMILESCc1cc(-c2cn3cc(C4CCCNCCC4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C21H25N5S/c1-14-9-16(10-17-11-25(2)24-20(14)17)19-13-26-12-18(23-21(26)27-19)15-5-3-7-22-8-4-6-15/h9-13,15,22H,3-8H2,1-2H3
InChIKeyJFLFUZSCLVJYMV-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.51
Rot. Bonds2

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

6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 178050596) has the molecular formula C21H25N5S and a molecular weight of 379.53 g/mol. Its IUPAC name is 6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID178050596
Molecular FormulaC21H25N5S
Molecular Weight379.53 g/mol
Exact Mass379.18
IUPAC Name6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
SMILESCc1cc(-c2cn3cc(C4CCCNCCC4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C21H25N5S/c1-14-9-16(10-17-11-25(2)24-20(14)17)19-13-26-12-18(23-21(26)27-19)15-5-3-7-22-8-4-6-15/h9-13,15,22H,3-8H2,1-2H3
InChIKeyJFLFUZSCLVJYMV-UHFFFAOYSA-N
XLogP4.51
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole (CID 178050596) is 6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole is Cc1cc(-c2cn3cc(C4CCCNCCC4)nc3s2)cc2cn(C)nc12.
What is the InChIKey of 6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is JFLFUZSCLVJYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5S/c1-14-9-16(10-17-11-25(2)24-20(14)17)19-13-26-12-18(23-21(26)27-19)15-5-3-7-22-8-4-6-15/h9-13,15,22H,3-8H2,1-2H3.
What are the key properties of 6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole?
6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 379.53 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 178050596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).