2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide

C6H10N2OS2 — CID 141055281

IUPAC2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide
SMILESCC1=CSC(S)N1CC(N)=O
InChIInChI=1S/C6H10N2OS2/c1-4-3-11-6(10)8(4)2-5(7)9/h3,6,10H,2H2,1H3,(H2,7,9)
InChIKeyGWNDKEQOXNTZLA-UHFFFAOYSA-N
MW190.29 g/mol
LogP0.60
Rot. Bonds2

About 2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide

2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide (PubChem CID 141055281) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide
PubChem CID141055281
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide
SMILESCC1=CSC(S)N1CC(N)=O
InChIInChI=1S/C6H10N2OS2/c1-4-3-11-6(10)8(4)2-5(7)9/h3,6,10H,2H2,1H3,(H2,7,9)
InChIKeyGWNDKEQOXNTZLA-UHFFFAOYSA-N
XLogP0.60
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-sulfanylethyl)acetamide
CID 177680509
2-(4-Methyl-2-sulfanylidene-1,3-thiazol-3-yl)acetamide
CID 17984111
2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide
CID 56980528
2-(4-methyl-2H-1,3-thiazol-3-yl)acetamide;hydrobromide
CID 173084029
2-(2-bromo-4-methyl-2H-1,3-thiazol-3-yl)acetamide
CID 174661799
3-ethyl-2H-1,3-thiazole-4-carboxamide
CID 174764354
2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43236994
N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 60699305
2-[Ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]amino]acetamide
CID 132970506

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide?
The IUPAC name of 2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide (CID 141055281) is 2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for 2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide is CC1=CSC(S)N1CC(N)=O.
What is the InChIKey of 2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide?
The InChIKey is GWNDKEQOXNTZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-4-3-11-6(10)8(4)2-5(7)9/h3,6,10H,2H2,1H3,(H2,7,9).
What are the key properties of 2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide?
2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide has a molecular weight of 190.29 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-sulfanyl-2H-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 141055281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).