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

C16H20N6OS — CID 110216667

IUPAC1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCc1csc2c(C3CCCN(C(=O)Cn4cncn4)C3)nc(C)n12
InChIInChI=1S/C16H20N6OS/c1-11-8-24-16-15(19-12(2)22(11)16)13-4-3-5-20(6-13)14(23)7-21-10-17-9-18-21/h8-10,13H,3-7H2,1-2H3
InChIKeyBBTMFFIJZHJSCW-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.01
Rot. Bonds3

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

1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 110216667) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(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-(1,2,4-triazol-1-yl)ethanone
PubChem CID110216667
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCc1csc2c(C3CCCN(C(=O)Cn4cncn4)C3)nc(C)n12
InChIInChI=1S/C16H20N6OS/c1-11-8-24-16-15(19-12(2)22(11)16)13-4-3-5-20(6-13)14(23)7-21-10-17-9-18-21/h8-10,13H,3-7H2,1-2H3
InChIKeyBBTMFFIJZHJSCW-UHFFFAOYSA-N
XLogP2.01
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(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-(1,2,4-triazol-1-yl)ethanone (CID 110216667) is 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(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-(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-(1,2,4-triazol-1-yl)ethanone is Cc1csc2c(C3CCCN(C(=O)Cn4cncn4)C3)nc(C)n12.
What is the InChIKey of 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is BBTMFFIJZHJSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-11-8-24-16-15(19-12(2)22(11)16)13-4-3-5-20(6-13)14(23)7-21-10-17-9-18-21/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 344.44 g/mol, XLogP of 2.01, 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-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 110216667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).