2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide

C20H18N2O3S — CID 41107572

IUPAC2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(-c2csc(NC(=O)Cc3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C20H18N2O3S/c1-2-13-3-6-15(7-4-13)16-11-26-20(21-16)22-19(23)10-14-5-8-17-18(9-14)25-12-24-17/h3-9,11H,2,10,12H2,1H3,(H,21,22,23)
InChIKeyDXQXVYAAZLMKCT-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.28
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 41107572) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID41107572
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccc(-c2csc(NC(=O)Cc3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C20H18N2O3S/c1-2-13-3-6-15(7-4-13)16-11-26-20(21-16)22-19(23)10-14-5-8-17-18(9-14)25-12-24-17/h3-9,11H,2,10,12H2,1H3,(H,21,22,23)
InChIKeyDXQXVYAAZLMKCT-UHFFFAOYSA-N
XLogP4.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 41107723
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 18198225
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16911259
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918677
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 52900330
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 18586909
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 24594736
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55757969
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 30726086
2-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 41107614
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 41107572) is 2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide is CCc1ccc(-c2csc(NC(=O)Cc3ccc4c(c3)OCO4)n2)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is DXQXVYAAZLMKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-2-13-3-6-15(7-4-13)16-11-26-20(21-16)22-19(23)10-14-5-8-17-18(9-14)25-12-24-17/h3-9,11H,2,10,12H2,1H3,(H,21,22,23).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 366.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 41107572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).