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

C18H17F2N5S — CID 178050574

IUPAC2-(6,7-difluoro-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCn1cc2cc(-c3cn4cc(C5CCNCC5)nc4s3)c(F)c(F)c2n1
InChIInChI=1S/C18H17F2N5S/c1-24-7-11-6-12(15(19)16(20)17(11)23-24)14-9-25-8-13(22-18(25)26-14)10-2-4-21-5-3-10/h6-10,21H,2-5H2,1H3
InChIKeyLCUJOEJXAXSAIU-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.69
Rot. Bonds2

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

2-(6,7-difluoro-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 178050574) has the molecular formula C18H17F2N5S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(6,7-difluoro-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-(6,7-difluoro-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
PubChem CID178050574
Molecular FormulaC18H17F2N5S
Molecular Weight373.43 g/mol
Exact Mass373.12
IUPAC Name2-(6,7-difluoro-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
SMILESCn1cc2cc(-c3cn4cc(C5CCNCC5)nc4s3)c(F)c(F)c2n1
InChIInChI=1S/C18H17F2N5S/c1-24-7-11-6-12(15(19)16(20)17(11)23-24)14-9-25-8-13(22-18(25)26-14)10-2-4-21-5-3-10/h6-10,21H,2-5H2,1H3
InChIKeyLCUJOEJXAXSAIU-UHFFFAOYSA-N
XLogP3.69
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-difluoro-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-(6,7-difluoro-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole (CID 178050574) is 2-(6,7-difluoro-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-(6,7-difluoro-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-(6,7-difluoro-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole is Cn1cc2cc(-c3cn4cc(C5CCNCC5)nc4s3)c(F)c(F)c2n1.
What is the InChIKey of 2-(6,7-difluoro-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is LCUJOEJXAXSAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5S/c1-24-7-11-6-12(15(19)16(20)17(11)23-24)14-9-25-8-13(22-18(25)26-14)10-2-4-21-5-3-10/h6-10,21H,2-5H2,1H3.
What are the key properties of 2-(6,7-difluoro-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole?
2-(6,7-difluoro-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 373.43 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-difluoro-2-methylindazol-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 178050574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).