N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride

C22H26ClN3O2S — CID 171667861

IUPACN-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCN(C)CCCN(C(=O)COc1ccccc1)c1nc(-c2ccccc2)cs1.Cl
InChIInChI=1S/C22H25N3O2S.ClH/c1-24(2)14-9-15-25(21(26)16-27-19-12-7-4-8-13-19)22-23-20(17-28-22)18-10-5-3-6-11-18;/h3-8,10-13,17H,9,14-16H2,1-2H3;1H
InChIKeyQOTBVLHBXADGAX-UHFFFAOYSA-N
MW431.99 g/mol
LogP4.60
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride

N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride (PubChem CID 171667861) has the molecular formula C22H26ClN3O2S and a molecular weight of 431.99 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
PubChem CID171667861
Molecular FormulaC22H26ClN3O2S
Molecular Weight431.99 g/mol
Exact Mass431.14
IUPAC NameN-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCN(C)CCCN(C(=O)COc1ccccc1)c1nc(-c2ccccc2)cs1.Cl
InChIInChI=1S/C22H25N3O2S.ClH/c1-24(2)14-9-15-25(21(26)16-27-19-12-7-4-8-13-19)22-23-20(17-28-22)18-10-5-3-6-11-18;/h3-8,10-13,17H,9,14-16H2,1-2H3;1H
InChIKeyQOTBVLHBXADGAX-UHFFFAOYSA-N
XLogP4.60
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3173561
N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 3189574
N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 171667869
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 1172644
N-[3-(dimethylamino)propyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide;hydrochloride
CID 18577432
N-(furan-2-ylmethyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1139478
2-(4-chlorophenoxy)-N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 171667903
N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide;dihydrochloride
CID 56684306
3-chloro-N-[3-(dimethylamino)propyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3189544
3-[(2-chloroacetyl)-(4-phenyl-1,3-thiazol-2-yl)amino]propyl-diethylazanium
CID 7124819
[2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-methyl-1,3-thiazole-5-carboxylate
CID 55998485
N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173578

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride (CID 171667861) is N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride is CN(C)CCCN(C(=O)COc1ccccc1)c1nc(-c2ccccc2)cs1.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The InChIKey is QOTBVLHBXADGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S.ClH/c1-24(2)14-9-15-25(21(26)16-27-19-12-7-4-8-13-19)22-23-20(17-28-22)18-10-5-3-6-11-18;/h3-8,10-13,17H,9,14-16H2,1-2H3;1H.
What are the key properties of N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride has a molecular weight of 431.99 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 171667861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).