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

C15H18N6OS — CID 92564310

IUPAC1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCc1nc(C2CCN(C(=O)Cn3cncn3)CC2)c2sccn12
InChIInChI=1S/C15H18N6OS/c1-11-18-14(15-21(11)6-7-23-15)12-2-4-19(5-3-12)13(22)8-20-10-16-9-17-20/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyZXDJJGFULHLOOK-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.70
Rot. Bonds3

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

1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 92564310) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID92564310
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESCc1nc(C2CCN(C(=O)Cn3cncn3)CC2)c2sccn12
InChIInChI=1S/C15H18N6OS/c1-11-18-14(15-21(11)6-7-23-15)12-2-4-19(5-3-12)13(22)8-20-10-16-9-17-20/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyZXDJJGFULHLOOK-UHFFFAOYSA-N
XLogP1.70
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 92564310) is 1-[4-(5-methylimidazo[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-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is Cc1nc(C2CCN(C(=O)Cn3cncn3)CC2)c2sccn12.
What is the InChIKey of 1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is ZXDJJGFULHLOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-11-18-14(15-21(11)6-7-23-15)12-2-4-19(5-3-12)13(22)8-20-10-16-9-17-20/h6-7,9-10,12H,2-5,8H2,1H3.
What are the key properties of 1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 330.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 92564310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).