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

C19H20FN5S — CID 178050896

IUPAC2-(7-fluoro-2,6-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCc1c(-c2cn3cc(C4CCNCC4)nc3s2)cc2cn(C)nc2c1F
InChIInChI=1S/C19H20FN5S/c1-11-14(7-13-8-24(2)23-18(13)17(11)20)16-10-25-9-15(22-19(25)26-16)12-3-5-21-6-4-12/h7-10,12,21H,3-6H2,1-2H3
InChIKeyVOPAQXBAKCNNRQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.86
Rot. Bonds2

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

2-(7-fluoro-2,6-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 178050896) has the molecular formula C19H20FN5S and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(7-fluoro-2,6-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-(7-fluoro-2,6-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
PubChem CID178050896
Molecular FormulaC19H20FN5S
Molecular Weight369.47 g/mol
Exact Mass369.14
IUPAC Name2-(7-fluoro-2,6-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCc1c(-c2cn3cc(C4CCNCC4)nc3s2)cc2cn(C)nc2c1F
InChIInChI=1S/C19H20FN5S/c1-11-14(7-13-8-24(2)23-18(13)17(11)20)16-10-25-9-15(22-19(25)26-16)12-3-5-21-6-4-12/h7-10,12,21H,3-6H2,1-2H3
InChIKeyVOPAQXBAKCNNRQ-UHFFFAOYSA-N
XLogP3.86
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2,6-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-(7-fluoro-2,6-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole (CID 178050896) is 2-(7-fluoro-2,6-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-(7-fluoro-2,6-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-(7-fluoro-2,6-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole is Cc1c(-c2cn3cc(C4CCNCC4)nc3s2)cc2cn(C)nc2c1F.
What is the InChIKey of 2-(7-fluoro-2,6-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is VOPAQXBAKCNNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5S/c1-11-14(7-13-8-24(2)23-18(13)17(11)20)16-10-25-9-15(22-19(25)26-16)12-3-5-21-6-4-12/h7-10,12,21H,3-6H2,1-2H3.
What are the key properties of 2-(7-fluoro-2,6-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
2-(7-fluoro-2,6-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 369.47 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2,6-dimethylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 178050896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).