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

C20H21N3O3S — CID 16563479

IUPACN-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)Cc2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C20H21N3O3S/c1-3-25-15-8-9-18(26-4-2)17(12-15)23-19(24)11-14-13-27-20(22-14)16-7-5-6-10-21-16/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyHBRMLMUCFYMYOD-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.18
Rot. Bonds8

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

N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 16563479) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID16563479
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)Cc2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C20H21N3O3S/c1-3-25-15-8-9-18(26-4-2)17(12-15)23-19(24)11-14-13-27-20(22-14)16-7-5-6-10-21-16/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyHBRMLMUCFYMYOD-UHFFFAOYSA-N
XLogP4.18
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17438834
N-(2,5-diethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35595783
N-(5-chloro-2-methoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26720081
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26771720
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,5-diethoxyphenyl)acetamide
CID 55448105
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572212
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55919837
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
2-(4-ethoxyphenyl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110284963
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 39820857
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27768196

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 16563479) is N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is CCOc1ccc(OCC)c(NC(=O)Cc2csc(-c3ccccn3)n2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HBRMLMUCFYMYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-25-15-8-9-18(26-4-2)17(12-15)23-19(24)11-14-13-27-20(22-14)16-7-5-6-10-21-16/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24).
What are the key properties of N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 16563479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).