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

C15H19ClN6OS — CID 95205574

IUPAC3-[(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
SMILESCCn1c([C@@H]2CCCN(Cc3c(Cl)nc4sccn34)C2)n[nH]c1=O
InChIInChI=1S/C15H19ClN6OS/c1-2-21-13(18-19-14(21)23)10-4-3-5-20(8-10)9-11-12(16)17-15-22(11)6-7-24-15/h6-7,10H,2-5,8-9H2,1H3,(H,19,23)/t10-/m1/s1
InChIKeyHJXTUXSDBWXBIN-SNVBAGLBSA-N
MW366.88 g/mol
LogP2.33
Rot. Bonds4

About 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

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 (PubChem CID 95205574) has the molecular formula C15H19ClN6OS and a molecular weight of 366.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID95205574
Molecular FormulaC15H19ClN6OS
Molecular Weight366.88 g/mol
Exact Mass366.10
IUPAC Name3-[(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
SMILESCCn1c([C@@H]2CCCN(Cc3c(Cl)nc4sccn34)C2)n[nH]c1=O
InChIInChI=1S/C15H19ClN6OS/c1-2-21-13(18-19-14(21)23)10-4-3-5-20(8-10)9-11-12(16)17-15-22(11)6-7-24-15/h6-7,10H,2-5,8-9H2,1H3,(H,19,23)/t10-/m1/s1
InChIKeyHJXTUXSDBWXBIN-SNVBAGLBSA-N
XLogP2.33
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.88
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3-[1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 56759649
4-ethyl-3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95207263
4-ethyl-3-[1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 56714093
4-ethyl-3-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 56710335
5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 110104090
4-ethyl-3-[(3R)-1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95222447
4-ethyl-3-[(3R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95221800
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
ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate
CID 31405483
5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 56859725
1-[3-[3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 56702577
(3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine
CID 42196859

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c([C@@H]2CCCN(Cc3c(Cl)nc4sccn34)C2)n[nH]c1=O.
What is the InChIKey of 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?
The InChIKey is HJXTUXSDBWXBIN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19ClN6OS/c1-2-21-13(18-19-14(21)23)10-4-3-5-20(8-10)9-11-12(16)17-15-22(11)6-7-24-15/h6-7,10H,2-5,8-9H2,1H3,(H,19,23)/t10-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 366.88 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 95205574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).