N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide

C12H14N2O2S — CID 131932444

IUPACN-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1ccc2scnc2c1
InChIInChI=1S/C12H14N2O2S/c1-2-16-6-5-12(15)14-9-3-4-11-10(7-9)13-8-17-11/h3-4,7-8H,2,5-6H2,1H3,(H,14,15)
InChIKeyMPKAQZOPWUMSEY-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.66
Rot. Bonds5

About N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide

N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide (PubChem CID 131932444) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide
PubChem CID131932444
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1ccc2scnc2c1
InChIInChI=1S/C12H14N2O2S/c1-2-16-6-5-12(15)14-9-3-4-11-10(7-9)13-8-17-11/h3-4,7-8H,2,5-6H2,1H3,(H,14,15)
InChIKeyMPKAQZOPWUMSEY-UHFFFAOYSA-N
XLogP2.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.66
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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Related Compounds

N-(1,3-benzothiazol-5-yl)-3-phenylpropanamide
CID 18585528
N-(1,3-benzothiazol-5-yl)-2-(4-ethoxyphenoxy)propanamide
CID 131928789
N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide
CID 18585507
N-(3-bromo-4-methylphenyl)-3-ethoxypropanamide
CID 55219341
N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide
CID 115661464
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide
CID 64780505
N-(4-chlorophenyl)-3-ethoxypropanamide
CID 2972757
N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide
CID 18585520
N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide
CID 107801616
N-(6-amino-3-pyridinyl)-3-ethoxypropanamide;hydrochloride
CID 119515208
(3R)-3-[1,3-benzothiazol-5-ylcarbamoyl(methyl)amino]-N-methylbutanamide
CID 125167132

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide (CID 131932444) is N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide is CCOCCC(=O)Nc1ccc2scnc2c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide?
The InChIKey is MPKAQZOPWUMSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-16-6-5-12(15)14-9-3-4-11-10(7-9)13-8-17-11/h3-4,7-8H,2,5-6H2,1H3,(H,14,15).
What are the key properties of N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide?
N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide has a molecular weight of 250.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-3-ethoxypropanamide is sourced from PubChem (CID 131932444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).