N-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide

C5H6N2OS2 — CID 67482217

IUPACN-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide
SMILESCC(=O)Nc1csc(=S)[nH]1
InChIInChI=1S/C5H6N2OS2/c1-3(8)6-4-2-10-5(9)7-4/h2H,1H3,(H,6,8)(H,7,9)
InChIKeyOCNVHWIATFZNEU-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.76
Rot. Bonds1

About N-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide

N-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide (PubChem CID 67482217) has the molecular formula C5H6N2OS2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide
PubChem CID67482217
Molecular FormulaC5H6N2OS2
Molecular Weight174.25 g/mol
Exact Mass173.99
IUPAC NameN-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide
SMILESCC(=O)Nc1csc(=S)[nH]1
InChIInChI=1S/C5H6N2OS2/c1-3(8)6-4-2-10-5(9)7-4/h2H,1H3,(H,6,8)(H,7,9)
InChIKeyOCNVHWIATFZNEU-UHFFFAOYSA-N
XLogP1.76
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide (CID 67482217) is N-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide is CC(=O)Nc1csc(=S)[nH]1.
What is the InChIKey of N-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide?
The InChIKey is OCNVHWIATFZNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS2/c1-3(8)6-4-2-10-5(9)7-4/h2H,1H3,(H,6,8)(H,7,9).
What are the key properties of N-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide?
N-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide has a molecular weight of 174.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylidene-3H-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 67482217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).