2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide

C5H6N2OS2 — CID 63312219

IUPAC2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide
SMILESNC(=S)Cn1ccsc1=O
InChIInChI=1S/C5H6N2OS2/c6-4(9)3-7-1-2-10-5(7)8/h1-2H,3H2,(H2,6,9)
InChIKeyOVFURUOKPMMJIT-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.20
Rot. Bonds2

About 2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide

2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide (PubChem CID 63312219) has the molecular formula C5H6N2OS2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide
PubChem CID63312219
Molecular FormulaC5H6N2OS2
Molecular Weight174.25 g/mol
Exact Mass173.99
IUPAC Name2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide
SMILESNC(=S)Cn1ccsc1=O
InChIInChI=1S/C5H6N2OS2/c6-4(9)3-7-1-2-10-5(7)8/h1-2H,3H2,(H2,6,9)
InChIKeyOVFURUOKPMMJIT-UHFFFAOYSA-N
XLogP0.20
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide?
The IUPAC name of 2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide (CID 63312219) is 2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide.
What is the SMILES notation for 2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide?
The canonical SMILES for 2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide is NC(=S)Cn1ccsc1=O.
What is the InChIKey of 2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide?
The InChIKey is OVFURUOKPMMJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS2/c6-4(9)3-7-1-2-10-5(7)8/h1-2H,3H2,(H2,6,9).
What are the key properties of 2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide?
2-(2-oxo-1,3-thiazol-3-yl)ethanethioamide has a molecular weight of 174.25 g/mol, XLogP of 0.20, 2 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)ethanethioamide is sourced from PubChem (CID 63312219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).