2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide

C20H19ClN2O2S — CID 55890045

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide
SMILESCCOc1ccc(Cl)cc1NC(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C20H19ClN2O2S/c1-2-25-18-9-8-15(21)11-17(18)23-19(24)12-16-13-26-20(22-16)10-14-6-4-3-5-7-14/h3-9,11,13H,2,10,12H2,1H3,(H,23,24)
InChIKeyHHCAOVHPKQBTIZ-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.97
Rot. Bonds7

About 2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide

2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide (PubChem CID 55890045) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide
PubChem CID55890045
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide
SMILESCCOc1ccc(Cl)cc1NC(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C20H19ClN2O2S/c1-2-25-18-9-8-15(21)11-17(18)23-19(24)12-16-13-26-20(22-16)10-14-6-4-3-5-7-14/h3-9,11,13H,2,10,12H2,1H3,(H,23,24)
InChIKeyHHCAOVHPKQBTIZ-UHFFFAOYSA-N
XLogP4.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,5-diethoxyphenyl)acetamide
CID 55448105
N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide
CID 55881237
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 39896236
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828
N-(5-acetamido-2-fluorophenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069303
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108737608
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide
CID 38710487
N-(5-chloro-2-methoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26720081
N-(2,5-diethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35595783
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16597485

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide (CID 55890045) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide is CCOc1ccc(Cl)cc1NC(=O)Cc1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide?
The InChIKey is HHCAOVHPKQBTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-2-25-18-9-8-15(21)11-17(18)23-19(24)12-16-13-26-20(22-16)10-14-6-4-3-5-7-14/h3-9,11,13H,2,10,12H2,1H3,(H,23,24).
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide?
2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide has a molecular weight of 386.90 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide is sourced from PubChem (CID 55890045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).