1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one

C18H23N5OS — CID 46956113

IUPAC1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESCc1csc2c(C3CCN(C(=O)CCn4ccnc4)CC3)nc(C)n12
InChIInChI=1S/C18H23N5OS/c1-13-11-25-18-17(20-14(2)23(13)18)15-3-8-22(9-4-15)16(24)5-7-21-10-6-19-12-21/h6,10-12,15H,3-5,7-9H2,1-2H3
InChIKeyXFKMRNZQBNOMCS-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.01
Rot. Bonds4

About 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one

1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 46956113) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID46956113
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESCc1csc2c(C3CCN(C(=O)CCn4ccnc4)CC3)nc(C)n12
InChIInChI=1S/C18H23N5OS/c1-13-11-25-18-17(20-14(2)23(13)18)15-3-8-22(9-4-15)16(24)5-7-21-10-6-19-12-21/h6,10-12,15H,3-5,7-9H2,1-2H3
InChIKeyXFKMRNZQBNOMCS-UHFFFAOYSA-N
XLogP3.01
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one (CID 46956113) is 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-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-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one is Cc1csc2c(C3CCN(C(=O)CCn4ccnc4)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-imidazol-1-ylpropan-1-one?
The InChIKey is XFKMRNZQBNOMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-13-11-25-18-17(20-14(2)23(13)18)15-3-8-22(9-4-15)16(24)5-7-21-10-6-19-12-21/h6,10-12,15H,3-5,7-9H2,1-2H3.
What are the key properties of 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 357.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 46956113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).