2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

C21H21FN2OS — CID 55650163

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C21H21FN2OS/c1-2-24(14-17-9-6-10-18(22)11-17)21(25)13-19-15-26-20(23-19)12-16-7-4-3-5-8-16/h3-11,15H,2,12-14H2,1H3
InChIKeyVOIUHJLXIUQVEU-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.46
Rot. Bonds7

About 2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 55650163) has the molecular formula C21H21FN2OS and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID55650163
Molecular FormulaC21H21FN2OS
Molecular Weight368.48 g/mol
Exact Mass368.14
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C21H21FN2OS/c1-2-24(14-17-9-6-10-18(22)11-17)21(25)13-19-15-26-20(23-19)12-16-7-4-3-5-8-16/h3-11,15H,2,12-14H2,1H3
InChIKeyVOIUHJLXIUQVEU-UHFFFAOYSA-N
XLogP4.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43319974
N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
CID 143940536
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methylphenyl)methyl]-N-prop-2-ynylacetamide
CID 48523916
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 55917442
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-methylamino]propanoic acid
CID 119233037
N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55594311
4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole
CID 61221053
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 86847886
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 46636397
(E)-4-[ethyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54874794

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (CID 55650163) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is CCN(Cc1cccc(F)c1)C(=O)Cc1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is VOIUHJLXIUQVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2OS/c1-2-24(14-17-9-6-10-18(22)11-17)21(25)13-19-15-26-20(23-19)12-16-7-4-3-5-8-16/h3-11,15H,2,12-14H2,1H3.
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 55650163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).