N-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide

C6H8N2OS2 — CID 130004903

IUPACN-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC1=NC(C)C(=S)S1
InChIInChI=1S/C6H8N2OS2/c1-3-5(10)11-6(7-3)8-4(2)9/h3H,1-2H3,(H,7,8,9)
InChIKeyMUEHQVJDJBGBQG-UHFFFAOYSA-N
MW188.28 g/mol
LogP0.94
Rot. Bonds

About N-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide

N-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide (PubChem CID 130004903) has the molecular formula C6H8N2OS2 and a molecular weight of 188.28 g/mol. Its IUPAC name is N-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide
PubChem CID130004903
Molecular FormulaC6H8N2OS2
Molecular Weight188.28 g/mol
Exact Mass188.01
IUPAC NameN-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)NC1=NC(C)C(=S)S1
InChIInChI=1S/C6H8N2OS2/c1-3-5(10)11-6(7-3)8-4(2)9/h3H,1-2H3,(H,7,8,9)
InChIKeyMUEHQVJDJBGBQG-UHFFFAOYSA-N
XLogP0.94
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 50.94
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 N-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide (CID 130004903) is N-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide is CC(=O)NC1=NC(C)C(=S)S1.
What is the InChIKey of N-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide?
The InChIKey is MUEHQVJDJBGBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS2/c1-3-5(10)11-6(7-3)8-4(2)9/h3H,1-2H3,(H,7,8,9).
What are the key properties of N-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide?
N-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide has a molecular weight of 188.28 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-sulfanylidene-4H-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 130004903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).