2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride

C25H31Cl2N3O2S — CID 171667903

IUPAC2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCCN(CC)CCCN(C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(C)cc2)cs1.Cl
InChIInChI=1S/C25H30ClN3O2S.ClH/c1-4-28(5-2)15-6-16-29(24(30)17-31-22-13-11-21(26)12-14-22)25-27-23(18-32-25)20-9-7-19(3)8-10-20;/h7-14,18H,4-6,15-17H2,1-3H3;1H
InChIKeySVRLYHSHFKKWPX-UHFFFAOYSA-N
MW508.52 g/mol
LogP6.34
Rot. Bonds11

About 2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride

2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride (PubChem CID 171667903) has the molecular formula C25H31Cl2N3O2S and a molecular weight of 508.52 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
PubChem CID171667903
Molecular FormulaC25H31Cl2N3O2S
Molecular Weight508.52 g/mol
Exact Mass507.15
IUPAC Name2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCCN(CC)CCCN(C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(C)cc2)cs1.Cl
InChIInChI=1S/C25H30ClN3O2S.ClH/c1-4-28(5-2)15-6-16-29(24(30)17-31-22-13-11-21(26)12-14-22)25-27-23(18-32-25)20-9-7-19(3)8-10-20;/h7-14,18H,4-6,15-17H2,1-3H3;1H
InChIKeySVRLYHSHFKKWPX-UHFFFAOYSA-N
XLogP6.34
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.52
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 3189574
N-[3-(diethylamino)propyl]-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3172978
N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3170750
N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 171667861
N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3173561
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 1172644
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-propanoylamino]propyl-diethylazanium
CID 7130226
2-(4-chlorophenoxy)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
CID 3172936
2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 44926558
3-[acetyl-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium
CID 7130225
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 43961473
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-[3-(dimethylamino)propyl]acetamide;hydrochloride
CID 44929993

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride (CID 171667903) is 2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride is CCN(CC)CCCN(C(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(C)cc2)cs1.Cl.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
The InChIKey is SVRLYHSHFKKWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2S.ClH/c1-4-28(5-2)15-6-16-29(24(30)17-31-22-13-11-21(26)12-14-22)25-27-23(18-32-25)20-9-7-19(3)8-10-20;/h7-14,18H,4-6,15-17H2,1-3H3;1H.
What are the key properties of 2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride?
2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride has a molecular weight of 508.52 g/mol, XLogP of 6.34, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 171667903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).