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

C18H24N6OS — CID 110216666

IUPAC1-[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
SMILESCc1csc2c(C3CCCN(C(=O)CCCn4cncn4)C3)nc(C)n12
InChIInChI=1S/C18H24N6OS/c1-13-10-26-18-17(21-14(2)24(13)18)15-5-3-7-22(9-15)16(25)6-4-8-23-12-19-11-20-23/h10-12,15H,3-9H2,1-2H3
InChIKeyBGNBCLYGEZJWTG-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.79
Rot. Bonds5

About 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

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 (PubChem CID 110216666) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID110216666
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name1-[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
SMILESCc1csc2c(C3CCCN(C(=O)CCCn4cncn4)C3)nc(C)n12
InChIInChI=1S/C18H24N6OS/c1-13-10-26-18-17(21-14(2)24(13)18)15-5-3-7-22(9-15)16(25)6-4-8-23-12-19-11-20-23/h10-12,15H,3-9H2,1-2H3
InChIKeyBGNBCLYGEZJWTG-UHFFFAOYSA-N
XLogP2.79
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Imidazo[2,1-b][1,3]thiazol-6-yl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 72145603
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
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]-2-(1,2,4-triazol-1-yl)ethanone
CID 110216667
1-[3-(3,5-Dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
CID 110216673
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanamide
CID 28078305
Cyclopropyl-[4-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 92564144
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
1-[4-(5-Methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 46956099
1-[4-[4-(5-Methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 46956100
3-Imidazol-1-yl-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one
CID 46956101

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1csc2c(C3CCCN(C(=O)CCCn4cncn4)C3)nc(C)n12.
What is the InChIKey of 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?
The InChIKey is BGNBCLYGEZJWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-13-10-26-18-17(21-14(2)24(13)18)15-5-3-7-22(9-15)16(25)6-4-8-23-12-19-11-20-23/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 372.50 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 110216666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).