2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide

C9H15N3O2S — CID 3821608

IUPAC2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide
SMILESCCCCNC(=O)CC1SC(N)=NC1=O
InChIInChI=1S/C9H15N3O2S/c1-2-3-4-11-7(13)5-6-8(14)12-9(10)15-6/h6H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
InChIKeyFFBPHMIUFVJBOZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.25
Rot. Bonds5

About 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide

2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide (PubChem CID 3821608) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide
PubChem CID3821608
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide
SMILESCCCCNC(=O)CC1SC(N)=NC1=O
InChIInChI=1S/C9H15N3O2S/c1-2-3-4-11-7(13)5-6-8(14)12-9(10)15-6/h6H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
InChIKeyFFBPHMIUFVJBOZ-UHFFFAOYSA-N
XLogP0.25
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.25
H-Bond Donors ≤ 52
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 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide?
The IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide (CID 3821608) is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide.
What is the SMILES notation for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide?
The canonical SMILES for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide is CCCCNC(=O)CC1SC(N)=NC1=O.
What is the InChIKey of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide?
The InChIKey is FFBPHMIUFVJBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-3-4-11-7(13)5-6-8(14)12-9(10)15-6/h6H,2-5H2,1H3,(H,11,13)(H2,10,12,14).
What are the key properties of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide?
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide has a molecular weight of 229.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-butylacetamide is sourced from PubChem (CID 3821608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).