N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide

C21H22N2O3S — CID 110619843

IUPACN-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(COc2ccccc2)n1)NCCCc1ccc(O)cc1
InChIInChI=1S/C21H22N2O3S/c24-18-10-8-16(9-11-18)5-4-12-22-20(25)13-17-15-27-21(23-17)14-26-19-6-2-1-3-7-19/h1-3,6-11,15,24H,4-5,12-14H2,(H,22,25)
InChIKeyRZFVEQVAIFXKNF-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.72
Rot. Bonds9

About N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide

N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110619843) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110619843
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(COc2ccccc2)n1)NCCCc1ccc(O)cc1
InChIInChI=1S/C21H22N2O3S/c24-18-10-8-16(9-11-18)5-4-12-22-20(25)13-17-15-27-21(23-17)14-26-19-6-2-1-3-7-19/h1-3,6-11,15,24H,4-5,12-14H2,(H,22,25)
InChIKeyRZFVEQVAIFXKNF-UHFFFAOYSA-N
XLogP3.72
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110620081
N-[2-(4-nitrophenyl)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110314008
N-[2-(dimethylamino)ethyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110316414
5-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]pentanoic acid
CID 119234934
N-[3-(methylamino)propyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119432048
N-[(2S)-butan-2-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 51662756
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55451065
2-benzyl-N-[3-(4-hydroxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 86973043
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62798218
N-[2-(ethylamino)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119507257
N-[2-(3-chlorophenyl)ethyl]-2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]acetamide
CID 110342111
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide (CID 110619843) is N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(COc2ccccc2)n1)NCCCc1ccc(O)cc1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is RZFVEQVAIFXKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c24-18-10-8-16(9-11-18)5-4-12-22-20(25)13-17-15-27-21(23-17)14-26-19-6-2-1-3-7-19/h1-3,6-11,15,24H,4-5,12-14H2,(H,22,25).
What are the key properties of N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)propyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110619843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).