1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone

C18H24N6OS — CID 110216673

IUPAC1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
SMILESCc1nc(C)n(CC(=O)N2CCCC(c3nc(C)n4c(C)csc34)C2)n1
InChIInChI=1S/C18H24N6OS/c1-11-10-26-18-17(20-14(4)24(11)18)15-6-5-7-22(8-15)16(25)9-23-13(3)19-12(2)21-23/h10,15H,5-9H2,1-4H3
InChIKeyKLSXMCXXFDVXEK-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.63
Rot. Bonds3

About 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone

1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone (PubChem CID 110216673) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
PubChem CID110216673
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
SMILESCc1nc(C)n(CC(=O)N2CCCC(c3nc(C)n4c(C)csc34)C2)n1
InChIInChI=1S/C18H24N6OS/c1-11-10-26-18-17(20-14(4)24(11)18)15-6-5-7-22(8-15)16(25)9-23-13(3)19-12(2)21-23/h10,15H,5-9H2,1-4H3
InChIKeyKLSXMCXXFDVXEK-UHFFFAOYSA-N
XLogP2.63
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone (CID 110216673) is 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone is Cc1nc(C)n(CC(=O)N2CCCC(c3nc(C)n4c(C)csc34)C2)n1.
What is the InChIKey of 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone?
The InChIKey is KLSXMCXXFDVXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-11-10-26-18-17(20-14(4)24(11)18)15-6-5-7-22(8-15)16(25)9-23-13(3)19-12(2)21-23/h10,15H,5-9H2,1-4H3.
What are the key properties of 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone?
1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone has a molecular weight of 372.50 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 110216673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).