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

C20H27N5OS — CID 46956116

IUPAC1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
SMILESCc1nccn1CCCC(=O)N1CCC(c2nc(C)n3c(C)csc23)CC1
InChIInChI=1S/C20H27N5OS/c1-14-13-27-20-19(22-16(3)25(14)20)17-6-10-24(11-7-17)18(26)5-4-9-23-12-8-21-15(23)2/h8,12-13,17H,4-7,9-11H2,1-3H3
InChIKeySTZFBPULKHDQIY-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.70
Rot. Bonds5

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

1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one (PubChem CID 46956116) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
PubChem CID46956116
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC Name1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
SMILESCc1nccn1CCCC(=O)N1CCC(c2nc(C)n3c(C)csc23)CC1
InChIInChI=1S/C20H27N5OS/c1-14-13-27-20-19(22-16(3)25(14)20)17-6-10-24(11-7-17)18(26)5-4-9-23-12-8-21-15(23)2/h8,12-13,17H,4-7,9-11H2,1-3H3
InChIKeySTZFBPULKHDQIY-UHFFFAOYSA-N
XLogP3.70
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.70
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]-4-(2-methylimidazol-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]-4-(2-methylimidazol-1-yl)butan-1-one (CID 46956116) is 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-(2-methylimidazol-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]-4-(2-methylimidazol-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]-4-(2-methylimidazol-1-yl)butan-1-one is Cc1nccn1CCCC(=O)N1CCC(c2nc(C)n3c(C)csc23)CC1.
What is the InChIKey of 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one?
The InChIKey is STZFBPULKHDQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-14-13-27-20-19(22-16(3)25(14)20)17-6-10-24(11-7-17)18(26)5-4-9-23-12-8-21-15(23)2/h8,12-13,17H,4-7,9-11H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one?
1-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one has a molecular weight of 385.54 g/mol, XLogP of 3.70, 5 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]-4-(2-methylimidazol-1-yl)butan-1-one is sourced from PubChem (CID 46956116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).