2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole

C18H19N5S2 — CID 168979307

IUPAC2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
SMILESCc1cn2cc(-c3nc4sc(C5CCNCC5)cc4s3)nc(C)c2n1
InChIInChI=1S/C18H19N5S2/c1-10-8-23-9-13(21-11(2)16(23)20-10)17-22-18-15(25-17)7-14(24-18)12-3-5-19-6-4-12/h7-9,12,19H,3-6H2,1-2H3
InChIKeyMXJXFPCLBGFLGY-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.15
Rot. Bonds2

About 2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole

2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole (PubChem CID 168979307) has the molecular formula C18H19N5S2 and a molecular weight of 369.52 g/mol. Its IUPAC name is 2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole.

Molecular Properties

Compound Name2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
PubChem CID168979307
Molecular FormulaC18H19N5S2
Molecular Weight369.52 g/mol
Exact Mass369.11
IUPAC Name2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole
SMILESCc1cn2cc(-c3nc4sc(C5CCNCC5)cc4s3)nc(C)c2n1
InChIInChI=1S/C18H19N5S2/c1-10-8-23-9-13(21-11(2)16(23)20-10)17-22-18-15(25-17)7-14(24-18)12-3-5-19-6-4-12/h7-9,12,19H,3-6H2,1-2H3
InChIKeyMXJXFPCLBGFLGY-UHFFFAOYSA-N
XLogP4.15
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole?
The IUPAC name of 2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole (CID 168979307) is 2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole.
What is the SMILES notation for 2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole?
The canonical SMILES for 2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole is Cc1cn2cc(-c3nc4sc(C5CCNCC5)cc4s3)nc(C)c2n1.
What is the InChIKey of 2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole?
The InChIKey is MXJXFPCLBGFLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S2/c1-10-8-23-9-13(21-11(2)16(23)20-10)17-22-18-15(25-17)7-14(24-18)12-3-5-19-6-4-12/h7-9,12,19H,3-6H2,1-2H3.
What are the key properties of 2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole?
2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole has a molecular weight of 369.52 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-piperidin-4-ylthieno[2,3-d][1,3]thiazole is sourced from PubChem (CID 168979307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).