N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride

C24H28ClN3O3S — CID 171667869

IUPACN-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccccc1)N(CCCN1CCOCC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H27N3O3S.ClH/c28-23(18-30-21-10-5-2-6-11-21)27(13-7-12-26-14-16-29-17-15-26)24-25-22(19-31-24)20-8-3-1-4-9-20;/h1-6,8-11,19H,7,12-18H2;1H
InChIKeySUMAXNLURAIYBH-UHFFFAOYSA-N
MW474.03 g/mol
LogP4.37
Rot. Bonds9

About N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride

N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride (PubChem CID 171667869) has the molecular formula C24H28ClN3O3S and a molecular weight of 474.03 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
PubChem CID171667869
Molecular FormulaC24H28ClN3O3S
Molecular Weight474.03 g/mol
Exact Mass473.15
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccccc1)N(CCCN1CCOCC1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H27N3O3S.ClH/c28-23(18-30-21-10-5-2-6-11-21)27(13-7-12-26-14-16-29-17-15-26)24-25-22(19-31-24)20-8-3-1-4-9-20;/h1-6,8-11,19H,7,12-18H2;1H
InChIKeySUMAXNLURAIYBH-UHFFFAOYSA-N
XLogP4.37
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.03
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175856
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-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxyacetamide;hydrochloride
CID 18581629
2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 1172776
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride
CID 6603084
N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 3189574
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide
CID 7622366
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide
CID 7622403
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 1172644
2-[2-[methyl-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 146469351
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 142893095

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride (CID 171667869) is N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride is Cl.O=C(COc1ccccc1)N(CCCN1CCOCC1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
The InChIKey is SUMAXNLURAIYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S.ClH/c28-23(18-30-21-10-5-2-6-11-21)27(13-7-12-26-14-16-29-17-15-26)24-25-22(19-31-24)20-8-3-1-4-9-20;/h1-6,8-11,19H,7,12-18H2;1H.
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride?
N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride has a molecular weight of 474.03 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 171667869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).