3-ethoxy-N-(1,3-thiazol-2-yl)propanamide

C8H12N2O2S — CID 2975744

IUPAC3-ethoxy-N-(1,3-thiazol-2-yl)propanamide
SMILESCCOCCC(=O)Nc1nccs1
InChIInChI=1S/C8H12N2O2S/c1-2-12-5-3-7(11)10-8-9-4-6-13-8/h4,6H,2-3,5H2,1H3,(H,9,10,11)
InChIKeyNDASSKUJRREWTE-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.51
Rot. Bonds5

About 3-ethoxy-N-(1,3-thiazol-2-yl)propanamide

3-ethoxy-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2975744) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-ethoxy-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-ethoxy-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2975744
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-ethoxy-N-(1,3-thiazol-2-yl)propanamide
SMILESCCOCCC(=O)Nc1nccs1
InChIInChI=1S/C8H12N2O2S/c1-2-12-5-3-7(11)10-8-9-4-6-13-8/h4,6H,2-3,5H2,1H3,(H,9,10,11)
InChIKeyNDASSKUJRREWTE-UHFFFAOYSA-N
XLogP1.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.51
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 3-ethoxy-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-ethoxy-N-(1,3-thiazol-2-yl)propanamide (CID 2975744) is 3-ethoxy-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-ethoxy-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-ethoxy-N-(1,3-thiazol-2-yl)propanamide is CCOCCC(=O)Nc1nccs1.
What is the InChIKey of 3-ethoxy-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is NDASSKUJRREWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-12-5-3-7(11)10-8-9-4-6-13-8/h4,6H,2-3,5H2,1H3,(H,9,10,11).
What are the key properties of 3-ethoxy-N-(1,3-thiazol-2-yl)propanamide?
3-ethoxy-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 200.26 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2975744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).