N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide

C9H14N2O3S — CID 103862881

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N2O3S/c1-2-3-14-5-8(12)10-4-7-6-15-9(13)11-7/h6H,2-5H2,1H3,(H,10,12)(H,11,13)
InChIKeyDYCIBRJWGKKANP-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.48
Rot. Bonds6

About N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide (PubChem CID 103862881) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide
PubChem CID103862881
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N2O3S/c1-2-3-14-5-8(12)10-4-7-6-15-9(13)11-7/h6H,2-5H2,1H3,(H,10,12)(H,11,13)
InChIKeyDYCIBRJWGKKANP-UHFFFAOYSA-N
XLogP0.48
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.48
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 N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide (CID 103862881) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide is CCCOCC(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide?
The InChIKey is DYCIBRJWGKKANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-2-3-14-5-8(12)10-4-7-6-15-9(13)11-7/h6H,2-5H2,1H3,(H,10,12)(H,11,13).
What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide has a molecular weight of 230.29 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-propoxyacetamide is sourced from PubChem (CID 103862881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).