N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide

C14H16N2O2S — CID 82155194

IUPACN-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1nc(CO)cs1
InChIInChI=1S/C14H16N2O2S/c1-16(8-11-5-3-2-4-6-11)14(18)7-13-15-12(9-17)10-19-13/h2-6,10,17H,7-9H2,1H3
InChIKeyQZVQEOPWLWGEHF-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.84
Rot. Bonds5

About N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide

N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 82155194) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID82155194
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1nc(CO)cs1
InChIInChI=1S/C14H16N2O2S/c1-16(8-11-5-3-2-4-6-11)14(18)7-13-15-12(9-17)10-19-13/h2-6,10,17H,7-9H2,1H3
InChIKeyQZVQEOPWLWGEHF-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 82155166
N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43319974
3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-methylamino]propanoic acid
CID 119233037
2-[2-(aminomethyl)phenyl]-N-benzyl-N-methylacetamide
CID 81317589
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
2-[2-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-4-yl]acetic acid
CID 39159513
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(5-hydroxypentyl)-N-methylacetamide
CID 107201763
N-benzyl-N-methyl-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 82155312
N-benzyl-N-methyl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597836
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054093
2-[benzyl(methyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696567

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide (CID 82155194) is N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)Cc1nc(CO)cs1.
What is the InChIKey of N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is QZVQEOPWLWGEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-16(8-11-5-3-2-4-6-11)14(18)7-13-15-12(9-17)10-19-13/h2-6,10,17H,7-9H2,1H3.
What are the key properties of N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide?
N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 276.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 82155194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).