3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole

C21H27N3OS — CID 92564172

IUPAC3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole
SMILESCc1csc2c(C3CCN(CCCOc4ccccc4)CC3)nc(C)n12
InChIInChI=1S/C21H27N3OS/c1-16-15-26-21-20(22-17(2)24(16)21)18-9-12-23(13-10-18)11-6-14-25-19-7-4-3-5-8-19/h3-5,7-8,15,18H,6,9-14H2,1-2H3
InChIKeyLFKWXGRXFGUZBC-UHFFFAOYSA-N
MW369.53 g/mol
LogP4.66
Rot. Bonds6

About 3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole

3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole (PubChem CID 92564172) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is 3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole
PubChem CID92564172
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole
SMILESCc1csc2c(C3CCN(CCCOc4ccccc4)CC3)nc(C)n12
InChIInChI=1S/C21H27N3OS/c1-16-15-26-21-20(22-17(2)24(16)21)18-9-12-23(13-10-18)11-6-14-25-19-7-4-3-5-8-19/h3-5,7-8,15,18H,6,9-14H2,1-2H3
InChIKeyLFKWXGRXFGUZBC-UHFFFAOYSA-N
XLogP4.66
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole?
The IUPAC name of 3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole (CID 92564172) is 3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole.
What is the SMILES notation for 3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole?
The canonical SMILES for 3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole is Cc1csc2c(C3CCN(CCCOc4ccccc4)CC3)nc(C)n12.
What is the InChIKey of 3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole?
The InChIKey is LFKWXGRXFGUZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-16-15-26-21-20(22-17(2)24(16)21)18-9-12-23(13-10-18)11-6-14-25-19-7-4-3-5-8-19/h3-5,7-8,15,18H,6,9-14H2,1-2H3.
What are the key properties of 3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole?
3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole has a molecular weight of 369.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole is sourced from PubChem (CID 92564172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).