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

C17H22Cl3N3O2S — CID 119428889

IUPAC2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC1CCCNC1
InChIInChI=1S/C17H20ClN3O2S.2ClH/c18-12-3-5-15(6-4-12)23-10-17-21-14(11-24-17)8-16(22)20-13-2-1-7-19-9-13;;/h3-6,11,13,19H,1-2,7-10H2,(H,20,22);2*1H
InChIKeyOXSPPHUNSCEHFW-UHFFFAOYSA-N
MW438.81 g/mol
LogP3.63
Rot. Bonds6

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

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride (PubChem CID 119428889) has the molecular formula C17H22Cl3N3O2S and a molecular weight of 438.81 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride
PubChem CID119428889
Molecular FormulaC17H22Cl3N3O2S
Molecular Weight438.81 g/mol
Exact Mass437.05
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC1CCCNC1
InChIInChI=1S/C17H20ClN3O2S.2ClH/c18-12-3-5-15(6-4-12)23-10-17-21-14(11-24-17)8-16(22)20-13-2-1-7-19-9-13;;/h3-6,11,13,19H,1-2,7-10H2,(H,20,22);2*1H
InChIKeyOXSPPHUNSCEHFW-UHFFFAOYSA-N
XLogP3.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.81
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-4-ylacetamide
CID 119388318
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119444328
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46649402
2-(2-ethyl-1,3-thiazol-4-yl)-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451077
N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119617460
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 56560605
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-cyclohexyloxypropyl)acetamide
CID 55463191
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 34141754
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119546693
1-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]cyclohexane-1-carboxamide
CID 78881305
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 55478764
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451715

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride (CID 119428889) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride is Cl.Cl.O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC1CCCNC1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride?
The InChIKey is OXSPPHUNSCEHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S.2ClH/c18-12-3-5-15(6-4-12)23-10-17-21-14(11-24-17)8-16(22)20-13-2-1-7-19-9-13;;/h3-6,11,13,19H,1-2,7-10H2,(H,20,22);2*1H.
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride?
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride has a molecular weight of 438.81 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 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-piperidin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119428889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).