2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide

C19H18N2O2S — CID 17395247

IUPAC2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
SMILESCc1ccc(OCc2nc(CC(=O)Nc3ccccc3)cs2)cc1
InChIInChI=1S/C19H18N2O2S/c1-14-7-9-17(10-8-14)23-12-19-21-16(13-24-19)11-18(22)20-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyMDNDODCTCJXAPT-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.21
Rot. Bonds6

About 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide

2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide (PubChem CID 17395247) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
PubChem CID17395247
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
SMILESCc1ccc(OCc2nc(CC(=O)Nc3ccccc3)cs2)cc1
InChIInChI=1S/C19H18N2O2S/c1-14-7-9-17(10-8-14)23-12-19-21-16(13-24-19)11-18(22)20-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22)
InChIKeyMDNDODCTCJXAPT-UHFFFAOYSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 50753766
N-[4-(dimethylamino)phenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 112500932
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 17498942
N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 25488180
N-(6-chloropyrazin-2-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 47090661
N-(5-bromo-2-pyridinyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 55457546
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide
CID 134009590
N-(3,5-dimethylphenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide
CID 110341903
5-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]pentanoic acid
CID 119234934
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 16572684
N-[3-(methylamino)propyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119432048
N-[2-(ethylamino)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119507257

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide (CID 17395247) is 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide is Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3)cs2)cc1.
What is the InChIKey of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide?
The InChIKey is MDNDODCTCJXAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14-7-9-17(10-8-14)23-12-19-21-16(13-24-19)11-18(22)20-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide?
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide has a molecular weight of 338.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide is sourced from PubChem (CID 17395247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).