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

C18H23N5OS — CID 46956101

IUPAC3-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one
SMILESCc1nc(C2CCN(C(=O)CC(C)n3ccnc3)CC2)c2sccn12
InChIInChI=1S/C18H23N5OS/c1-13(22-8-5-19-12-22)11-16(24)21-6-3-15(4-7-21)17-18-23(9-10-25-18)14(2)20-17/h5,8-10,12-13,15H,3-4,6-7,11H2,1-2H3
InChIKeyATPAWQZZEVLNJH-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.26
Rot. Bonds4

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

3-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one (PubChem CID 46956101) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one
PubChem CID46956101
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name3-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one
SMILESCc1nc(C2CCN(C(=O)CC(C)n3ccnc3)CC2)c2sccn12
InChIInChI=1S/C18H23N5OS/c1-13(22-8-5-19-12-22)11-16(24)21-6-3-15(4-7-21)17-18-23(9-10-25-18)14(2)20-17/h5,8-10,12-13,15H,3-4,6-7,11H2,1-2H3
InChIKeyATPAWQZZEVLNJH-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-5-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]pyridin-2-one
CID 46956108
2-Imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-imidazol-1-ylpiperidin-1-yl)ethanone
CID 53593331
1-[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 56780306
2-Imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 72145603
[2-(Dimethylamino)pyrimidin-5-yl]-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 92409119
1-[4-(3,5-Dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 92564160
[4-(5-Methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 92564314
1-[3-(3,5-Dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 110216660
1-[3-(3,5-Dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 110216662
1-[3-(3,5-Dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 110216666
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
N-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472748

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one (CID 46956101) is 3-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one is Cc1nc(C2CCN(C(=O)CC(C)n3ccnc3)CC2)c2sccn12.
What is the InChIKey of 3-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one?
The InChIKey is ATPAWQZZEVLNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-13(22-8-5-19-12-22)11-16(24)21-6-3-15(4-7-21)17-18-23(9-10-25-18)14(2)20-17/h5,8-10,12-13,15H,3-4,6-7,11H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one?
3-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one has a molecular weight of 357.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 46956101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).