2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride

C18H24Cl3N3O2S — CID 119444328

IUPAC2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
SMILESCN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H22ClN3O2S.2ClH/c1-22(15-6-8-20-9-7-15)18(23)10-14-12-25-17(21-14)11-24-16-4-2-13(19)3-5-16;;/h2-5,12,15,20H,6-11H2,1H3;2*1H
InChIKeyUHRQNUBTLFIOGR-UHFFFAOYSA-N
MW452.84 g/mol
LogP3.97
Rot. Bonds6

About 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride (PubChem CID 119444328) has the molecular formula C18H24Cl3N3O2S and a molecular weight of 452.84 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
PubChem CID119444328
Molecular FormulaC18H24Cl3N3O2S
Molecular Weight452.84 g/mol
Exact Mass451.07
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
SMILESCN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H22ClN3O2S.2ClH/c1-22(15-6-8-20-9-7-15)18(23)10-14-12-25-17(21-14)11-24-16-4-2-13(19)3-5-16;;/h2-5,12,15,20H,6-11H2,1H3;2*1H
InChIKeyUHRQNUBTLFIOGR-UHFFFAOYSA-N
XLogP3.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride (CID 119444328) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride is CN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride?
The InChIKey is UHRQNUBTLFIOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S.2ClH/c1-22(15-6-8-20-9-7-15)18(23)10-14-12-25-17(21-14)11-24-16-4-2-13(19)3-5-16;;/h2-5,12,15,20H,6-11H2,1H3;2*1H.
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride?
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride has a molecular weight of 452.84 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride is sourced from PubChem (CID 119444328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).