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

C12H12N2O2S — CID 2940526

IUPACN-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(COc2ccccc2)cs1
InChIInChI=1S/C12H12N2O2S/c1-9(15)13-12-14-10(8-17-12)7-16-11-5-3-2-4-6-11/h2-6,8H,7H2,1H3,(H,13,14,15)
InChIKeyRNIHVKVHRCJGBB-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.68
Rot. Bonds4

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

N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 2940526) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID2940526
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(COc2ccccc2)cs1
InChIInChI=1S/C12H12N2O2S/c1-9(15)13-12-14-10(8-17-12)7-16-11-5-3-2-4-6-11/h2-6,8H,7H2,1H3,(H,13,14,15)
InChIKeyRNIHVKVHRCJGBB-UHFFFAOYSA-N
XLogP2.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 721272
4-[(2-Methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 3845545
4-(Phenoxymethyl)-1,3-thiazol-2-amine
CID 2050028
2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
N-(4,5-Dimethyl-thiazol-2-yl)-2-(2-methoxy-phenoxy)-acetamide
CID 893843
Ethyl (2-{[(3-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 699676
Ethyl (2-{[(4-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 2066145
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2122298
4-(4-Methoxy-phenoxymethyl)-thiazol-2-ylamine
CID 3870776
N-[4-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazol-2-yl]-acetamide
CID 3155495
4-[(2-Methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 4985772
4-[2-(4-Fluorophenoxy)ethyl]-1,3-thiazol-2-amine
CID 2050022

Frequently Asked Questions

What is the IUPAC name of N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide (CID 2940526) is N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(COc2ccccc2)cs1.
What is the InChIKey of N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RNIHVKVHRCJGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9(15)13-12-14-10(8-17-12)7-16-11-5-3-2-4-6-11/h2-6,8H,7H2,1H3,(H,13,14,15).
What are the key properties of N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 248.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2940526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).