N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide

C14H16N2O2S — CID 82155166

IUPACN-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cc1nc(CO)cs1)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-2-16(12-6-4-3-5-7-12)14(18)8-13-15-11(9-17)10-19-13/h3-7,10,17H,2,8-9H2,1H3
InChIKeyGKTJWXWSWOSFMC-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.23
Rot. Bonds5

About N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide

N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 82155166) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID82155166
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cc1nc(CO)cs1)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-2-16(12-6-4-3-5-7-12)14(18)8-13-15-11(9-17)10-19-13/h3-7,10,17H,2,8-9H2,1H3
InChIKeyGKTJWXWSWOSFMC-UHFFFAOYSA-N
XLogP2.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 82155194
N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43319974
N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51191452
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46483651
2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone
CID 63199105
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea
CID 71923156
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 18272289
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103190292
N-ethyl-N-phenyl-2-(2H-tetrazol-5-yl)acetamide
CID 110498051
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide (CID 82155166) is N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide is CCN(C(=O)Cc1nc(CO)cs1)c1ccccc1.
What is the InChIKey of N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is GKTJWXWSWOSFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-16(12-6-4-3-5-7-12)14(18)8-13-15-11(9-17)10-19-13/h3-7,10,17H,2,8-9H2,1H3.
What are the key properties of N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 276.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 82155166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).