N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane

C17H24N2OS — CID 143940536

IUPACN-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
SMILESCC.CCN(Cc1ccccc1)C(=O)Cc1csc(C)n1
InChIInChI=1S/C15H18N2OS.C2H6/c1-3-17(10-13-7-5-4-6-8-13)15(18)9-14-11-19-12(2)16-14;1-2/h4-8,11H,3,9-10H2,1-2H3;1-2H3
InChIKeyZJSVDZJOYFFOAL-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.07
Rot. Bonds5

About N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane

N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane (PubChem CID 143940536) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
PubChem CID143940536
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
SMILESCC.CCN(Cc1ccccc1)C(=O)Cc1csc(C)n1
InChIInChI=1S/C15H18N2OS.C2H6/c1-3-17(10-13-7-5-4-6-8-13)15(18)9-14-11-19-12(2)16-14;1-2/h4-8,11H,3,9-10H2,1-2H3;1-2H3
InChIKeyZJSVDZJOYFFOAL-UHFFFAOYSA-N
XLogP4.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2-methylpropanoic acid
CID 55123103
N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43319974
2-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 134008275
2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 55650163
N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55594311
N,N-bis(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60653359
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 62798203
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-(3-aminopropyl)-N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120648388
N-benzyl-N-propyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134059896
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methylphenyl)methyl]-N-prop-2-ynylacetamide
CID 48523916

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane?
The IUPAC name of N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane (CID 143940536) is N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane.
What is the SMILES notation for N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane?
The canonical SMILES for N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane is CC.CCN(Cc1ccccc1)C(=O)Cc1csc(C)n1.
What is the InChIKey of N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane?
The InChIKey is ZJSVDZJOYFFOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS.C2H6/c1-3-17(10-13-7-5-4-6-8-13)15(18)9-14-11-19-12(2)16-14;1-2/h4-8,11H,3,9-10H2,1-2H3;1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane?
N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane has a molecular weight of 304.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane is sourced from PubChem (CID 143940536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).