4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

C18H16ClN7OS — CID 133494255

IUPAC4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(c3nn4cc(-c5ccc(Cl)cc5)nc4s3)CC2=O)cn1
InChIInChI=1S/C18H16ClN7OS/c1-23-9-14(8-20-23)25-7-6-24(11-16(25)27)18-22-26-10-15(21-17(26)28-18)12-2-4-13(19)5-3-12/h2-5,8-10H,6-7,11H2,1H3
InChIKeyYIKXICCXZCKAQU-UHFFFAOYSA-N
MW413.89 g/mol
LogP2.70
Rot. Bonds3

About 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 133494255) has the molecular formula C18H16ClN7OS and a molecular weight of 413.89 g/mol. Its IUPAC name is 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID133494255
Molecular FormulaC18H16ClN7OS
Molecular Weight413.89 g/mol
Exact Mass413.08
IUPAC Name4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(c3nn4cc(-c5ccc(Cl)cc5)nc4s3)CC2=O)cn1
InChIInChI=1S/C18H16ClN7OS/c1-23-9-14(8-20-23)25-7-6-24(11-16(25)27)18-22-26-10-15(21-17(26)28-18)12-2-4-13(19)5-3-12/h2-5,8-10H,6-7,11H2,1H3
InChIKeyYIKXICCXZCKAQU-UHFFFAOYSA-N
XLogP2.70
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate
CID 133495191
1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclopropylpiperidin-4-amine
CID 133494909
ethyl (3R)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylate
CID 133494741
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
CID 133336956
N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906850
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 135186111
5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054198
4-chloro-2-methyl-5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazin-3-one
CID 133336960
[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 133279942
2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462553
1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 133269900

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 133494255) is 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is Cn1cc(N2CCN(c3nn4cc(-c5ccc(Cl)cc5)nc4s3)CC2=O)cn1.
What is the InChIKey of 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is YIKXICCXZCKAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7OS/c1-23-9-14(8-20-23)25-7-6-24(11-16(25)27)18-22-26-10-15(21-17(26)28-18)12-2-4-13(19)5-3-12/h2-5,8-10H,6-7,11H2,1H3.
What are the key properties of 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 413.89 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 133494255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).