5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole

C17H23N5S — CID 110104090

IUPAC5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn(C)c(C2CCCN(Cc3c(C)nc4sccn34)C2)n1
InChIInChI=1S/C17H23N5S/c1-12-9-20(3)16(18-12)14-5-4-6-21(10-14)11-15-13(2)19-17-22(15)7-8-23-17/h7-9,14H,4-6,10-11H2,1-3H3
InChIKeyYYGIHTFJUOCLIZ-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.13
Rot. Bonds3

About 5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole

5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 110104090) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
PubChem CID110104090
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cn(C)c(C2CCCN(Cc3c(C)nc4sccn34)C2)n1
InChIInChI=1S/C17H23N5S/c1-12-9-20(3)16(18-12)14-5-4-6-21(10-14)11-15-13(2)19-17-22(15)7-8-23-17/h7-9,14H,4-6,10-11H2,1-3H3
InChIKeyYYGIHTFJUOCLIZ-UHFFFAOYSA-N
XLogP3.13
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

(3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine
CID 42196859
5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 56859725
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 45239684
6-methyl-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 38996171
4-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765812
1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole
CID 124959858
3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine
CID 110104154
(3R)-3-(1,4-dimethylimidazol-2-yl)-1-(oxan-4-ylmethyl)piperidine
CID 124989956
3-[(3R)-1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95205574
1-methyl-2-[1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 46976754
1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 92626009
6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 97159618

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole (CID 110104090) is 5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole is Cc1cn(C)c(C2CCCN(Cc3c(C)nc4sccn34)C2)n1.
What is the InChIKey of 5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is YYGIHTFJUOCLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-12-9-20(3)16(18-12)14-5-4-6-21(10-14)11-15-13(2)19-17-22(15)7-8-23-17/h7-9,14H,4-6,10-11H2,1-3H3.
What are the key properties of 5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole?
5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 329.47 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 110104090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).