4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide

C12H20N2O2S — CID 71999021

IUPAC4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCCOCCCC(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C12H20N2O2S/c1-4-16-7-5-6-11(15)14-12-13-8-10(17-12)9(2)3/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyAEPBEYBWFINVER-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.02
Rot. Bonds7

About 4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide

4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 71999021) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
PubChem CID71999021
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
SMILESCCOCCCC(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C12H20N2O2S/c1-4-16-7-5-6-11(15)14-12-13-8-10(17-12)9(2)3/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyAEPBEYBWFINVER-UHFFFAOYSA-N
XLogP3.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.02
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 4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide (CID 71999021) is 4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide is CCOCCCC(=O)Nc1ncc(C(C)C)s1.
What is the InChIKey of 4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is AEPBEYBWFINVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-16-7-5-6-11(15)14-12-13-8-10(17-12)9(2)3/h8-9H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide?
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 256.37 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 71999021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).