2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide

C21H22ClN3O2S — CID 57033754

IUPAC2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
SMILESO=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCCNCC(O)c1ccccc1
InChIInChI=1S/C21H22ClN3O2S/c22-17-8-6-16(7-9-17)21-25-18(14-28-21)12-20(27)24-11-10-23-13-19(26)15-4-2-1-3-5-15/h1-9,14,19,23,26H,10-13H2,(H,24,27)
InChIKeyFMYIARDPZBPLER-UHFFFAOYSA-N
MW415.95 g/mol
LogP3.45
Rot. Bonds9

About 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide

2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide (PubChem CID 57033754) has the molecular formula C21H22ClN3O2S and a molecular weight of 415.95 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
PubChem CID57033754
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.95 g/mol
Exact Mass415.11
IUPAC Name2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
SMILESO=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCCNCC(O)c1ccccc1
InChIInChI=1S/C21H22ClN3O2S/c22-17-8-6-16(7-9-17)21-25-18(14-28-21)12-20(27)24-11-10-23-13-19(26)15-4-2-1-3-5-15/h1-9,14,19,23,26H,10-13H2,(H,24,27)
InChIKeyFMYIARDPZBPLER-UHFFFAOYSA-N
XLogP3.45
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
N-[1-(4-chlorophenyl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24600790
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110885409
dimethyl-[(1R)-1-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]azanium
CID 2425714
3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119220562
(2S)-2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 29131539
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523886
N-[1-(4-chlorophenyl)-2,2-dihydroxyethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 146248223
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 40819121
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9490539
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9404295

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide (CID 57033754) is 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide is O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCCNCC(O)c1ccccc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide?
The InChIKey is FMYIARDPZBPLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2S/c22-17-8-6-16(7-9-17)21-25-18(14-28-21)12-20(27)24-11-10-23-13-19(26)15-4-2-1-3-5-15/h1-9,14,19,23,26H,10-13H2,(H,24,27).
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide?
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide has a molecular weight of 415.95 g/mol, XLogP of 3.45, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide is sourced from PubChem (CID 57033754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).