N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

C14H16N2O2S — CID 5226375

IUPACN-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCOCCNC(=O)c1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-16-13(9-19-10)11-3-5-12(6-4-11)14(17)15-7-8-18-2/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyOXRKOCOWIIHNJO-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.49
Rot. Bonds5

About N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 5226375) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID5226375
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCOCCNC(=O)c1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-16-13(9-19-10)11-3-5-12(6-4-11)14(17)15-7-8-18-2/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyOXRKOCOWIIHNJO-UHFFFAOYSA-N
XLogP2.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 5226375) is N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is COCCNC(=O)c1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is OXRKOCOWIIHNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-16-13(9-19-10)11-3-5-12(6-4-11)14(17)15-7-8-18-2/h3-6,9H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 276.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 5226375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).