N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide

C13H11N3O2S — CID 90603554

IUPACN-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ncc(C#N)s2)cc1
InChIInChI=1S/C13H11N3O2S/c1-2-18-10-5-3-9(4-6-10)12(17)16-13-15-8-11(7-14)19-13/h3-6,8H,2H2,1H3,(H,15,16,17)
InChIKeyGAYGMEWPNTWEPM-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.67
Rot. Bonds4

About N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide

N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide (PubChem CID 90603554) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide
PubChem CID90603554
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ncc(C#N)s2)cc1
InChIInChI=1S/C13H11N3O2S/c1-2-18-10-5-3-9(4-6-10)12(17)16-13-15-8-11(7-14)19-13/h3-6,8H,2H2,1H3,(H,15,16,17)
InChIKeyGAYGMEWPNTWEPM-UHFFFAOYSA-N
XLogP2.67
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170489
N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545
4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4684424
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-4-cyanobenzamide
CID 60802706
5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 90603525
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 5025499
3,5-diethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 59736022
4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086877
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90603668
4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170568
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide
CID 78886727

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide (CID 90603554) is N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ncc(C#N)s2)cc1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide?
The InChIKey is GAYGMEWPNTWEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-2-18-10-5-3-9(4-6-10)12(17)16-13-15-8-11(7-14)19-13/h3-6,8H,2H2,1H3,(H,15,16,17).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide?
N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide has a molecular weight of 273.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide is sourced from PubChem (CID 90603554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).