2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide

C20H20N2O3S — CID 39896236

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C20H20N2O3S/c1-24-17-9-8-15(11-18(17)25-2)21-19(23)12-16-13-26-20(22-16)10-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,21,23)
InChIKeyRLGZGFPXERDEEY-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.93
Rot. Bonds7

About 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide

2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 39896236) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID39896236
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C20H20N2O3S/c1-24-17-9-8-15(11-18(17)25-2)21-19(23)12-16-13-26-20(22-16)10-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,21,23)
InChIKeyRLGZGFPXERDEEY-UHFFFAOYSA-N
XLogP3.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 36591038
N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389581
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 43320057
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-bromo-4-methylphenyl)acetamide
CID 55671045
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 55649827
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 86980707
2-(2-benzyl-1,3-thiazol-4-yl)-N-(5-chloro-2-ethoxyphenyl)acetamide
CID 55890045
N-[4-[2-(3-benzyl-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55719652
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568007
N-(6-methoxynaphthalen-2-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 166197937
N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389576
N-(1-benzylpyrazol-4-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 55948097

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide (CID 39896236) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cc2csc(Cc3ccccc3)n2)cc1OC.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is RLGZGFPXERDEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-24-17-9-8-15(11-18(17)25-2)21-19(23)12-16-13-26-20(22-16)10-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide?
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 39896236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).