N-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C14H16N2O4S — CID 2083475

IUPACN-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2nccs2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O4S/c1-18-10-6-9(7-11(19-2)13(10)20-3)8-12(17)16-14-15-4-5-21-14/h4-7H,8H2,1-3H3,(H,15,16,17)
InChIKeyZZJAGDSXYXZYKL-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.35
Rot. Bonds6

About N-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2083475) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2083475
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2nccs2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O4S/c1-18-10-6-9(7-11(19-2)13(10)20-3)8-12(17)16-14-15-4-5-21-14/h4-7H,8H2,1-3H3,(H,15,16,17)
InChIKeyZZJAGDSXYXZYKL-UHFFFAOYSA-N
XLogP2.35
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 2083475) is N-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2nccs2)cc(OC)c1OC.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is ZZJAGDSXYXZYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-18-10-6-9(7-11(19-2)13(10)20-3)8-12(17)16-14-15-4-5-21-14/h4-7H,8H2,1-3H3,(H,15,16,17).
What are the key properties of N-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 308.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2083475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).