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

C18H24N6OS — CID 46956114

IUPAC1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one
SMILESCc1csc2c(C3CCN(C(=O)CC(C)n4cncn4)CC3)nc(C)n12
InChIInChI=1S/C18H24N6OS/c1-12(23-11-19-10-20-23)8-16(25)22-6-4-15(5-7-22)17-18-24(14(3)21-17)13(2)9-26-18/h9-12,15H,4-8H2,1-3H3
InChIKeyOKULLMBEGMCUII-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.96
Rot. Bonds4

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

1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one (PubChem CID 46956114) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one
PubChem CID46956114
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one
SMILESCc1csc2c(C3CCN(C(=O)CC(C)n4cncn4)CC3)nc(C)n12
InChIInChI=1S/C18H24N6OS/c1-12(23-11-19-10-20-23)8-16(25)22-6-4-15(5-7-22)17-18-24(14(3)21-17)13(2)9-26-18/h9-12,15H,4-8H2,1-3H3
InChIKeyOKULLMBEGMCUII-UHFFFAOYSA-N
XLogP2.96
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one?
The IUPAC name of 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one (CID 46956114) is 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one.
What is the SMILES notation for 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one?
The canonical SMILES for 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one is Cc1csc2c(C3CCN(C(=O)CC(C)n4cncn4)CC3)nc(C)n12.
What is the InChIKey of 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one?
The InChIKey is OKULLMBEGMCUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-12(23-11-19-10-20-23)8-16(25)22-6-4-15(5-7-22)17-18-24(14(3)21-17)13(2)9-26-18/h9-12,15H,4-8H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one?
1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one has a molecular weight of 372.50 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one is sourced from PubChem (CID 46956114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).