2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide

C8H8N2O2S — CID 79035247

IUPAC2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1ccsc1=O
InChIInChI=1S/C8H8N2O2S/c1-2-3-9-7(11)6-10-4-5-13-8(10)12/h1,4-5H,3,6H2,(H,9,11)
InChIKeyNYXIWYYULKXZMK-UHFFFAOYSA-N
MW196.23 g/mol
LogP-0.34
Rot. Bonds3

About 2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide

2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide (PubChem CID 79035247) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide
PubChem CID79035247
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)Cn1ccsc1=O
InChIInChI=1S/C8H8N2O2S/c1-2-3-9-7(11)6-10-4-5-13-8(10)12/h1,4-5H,3,6H2,(H,9,11)
InChIKeyNYXIWYYULKXZMK-UHFFFAOYSA-N
XLogP-0.34
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide (CID 79035247) is 2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)Cn1ccsc1=O.
What is the InChIKey of 2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide?
The InChIKey is NYXIWYYULKXZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-2-3-9-7(11)6-10-4-5-13-8(10)12/h1,4-5H,3,6H2,(H,9,11).
What are the key properties of 2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide?
2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide has a molecular weight of 196.23 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-thiazol-3-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 79035247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).