[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate

C17H17ClN4O2S — CID 133495191

IUPAC[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1
InChIInChI=1S/C17H17ClN4O2S/c1-11(23)24-14-6-8-21(9-7-14)17-20-22-10-15(19-16(22)25-17)12-2-4-13(18)5-3-12/h2-5,10,14H,6-9H2,1H3
InChIKeyKJIAEKGQTCPDBX-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.64
Rot. Bonds3

About [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate

[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate (PubChem CID 133495191) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate.

Molecular Properties

Compound Name[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate
PubChem CID133495191
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1
InChIInChI=1S/C17H17ClN4O2S/c1-11(23)24-14-6-8-21(9-7-14)17-20-22-10-15(19-16(22)25-17)12-2-4-13(18)5-3-12/h2-5,10,14H,6-9H2,1H3
InChIKeyKJIAEKGQTCPDBX-UHFFFAOYSA-N
XLogP3.64
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-cyclopropylpiperidin-4-amine
CID 133494909
N-[(4-chlorophenyl)methyl]-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906850
ethyl (3R)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylate
CID 133494741
[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
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 20906770
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20906766
N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine
CID 133272090
1-[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidin-2-yl]ethane-1,2-diol
CID 167905553
[1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 20906917
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 20906797
N-(3-chloro-4-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906945
N-(3-chloro-2-methylphenyl)-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
CID 20906944

Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate?
The IUPAC name of [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate (CID 133495191) is [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate.
What is the SMILES notation for [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate?
The canonical SMILES for [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate is CC(=O)OC1CCN(c2nn3cc(-c4ccc(Cl)cc4)nc3s2)CC1.
What is the InChIKey of [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate?
The InChIKey is KJIAEKGQTCPDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-11(23)24-14-6-8-21(9-7-14)17-20-22-10-15(19-16(22)25-17)12-2-4-13(18)5-3-12/h2-5,10,14H,6-9H2,1H3.
What are the key properties of [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate?
[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate has a molecular weight of 376.87 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl] acetate is sourced from PubChem (CID 133495191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).