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

C5H8N2OS2 — CID 88692314

IUPAC2-sulfanyl-2-(2H-1,3-thiazol-3-yl)acetamide
SMILESNC(=O)C(S)N1C=CSC1
InChIInChI=1S/C5H8N2OS2/c6-4(8)5(9)7-1-2-10-3-7/h1-2,5,9H,3H2,(H2,6,8)
InChIKeySRJJKHCIPNKLFO-UHFFFAOYSA-N
MW176.27 g/mol
LogP0.21
Rot. Bonds2

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

2-sulfanyl-2-(2H-1,3-thiazol-3-yl)acetamide (PubChem CID 88692314) has the molecular formula C5H8N2OS2 and a molecular weight of 176.27 g/mol. Its IUPAC name is 2-sulfanyl-2-(2H-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-sulfanyl-2-(2H-1,3-thiazol-3-yl)acetamide
PubChem CID88692314
Molecular FormulaC5H8N2OS2
Molecular Weight176.27 g/mol
Exact Mass176.01
IUPAC Name2-sulfanyl-2-(2H-1,3-thiazol-3-yl)acetamide
SMILESNC(=O)C(S)N1C=CSC1
InChIInChI=1S/C5H8N2OS2/c6-4(8)5(9)7-1-2-10-3-7/h1-2,5,9H,3H2,(H2,6,8)
InChIKeySRJJKHCIPNKLFO-UHFFFAOYSA-N
XLogP0.21
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-2-(2H-1,3-thiazol-3-yl)acetamide?
The IUPAC name of 2-sulfanyl-2-(2H-1,3-thiazol-3-yl)acetamide (CID 88692314) is 2-sulfanyl-2-(2H-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for 2-sulfanyl-2-(2H-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for 2-sulfanyl-2-(2H-1,3-thiazol-3-yl)acetamide is NC(=O)C(S)N1C=CSC1.
What is the InChIKey of 2-sulfanyl-2-(2H-1,3-thiazol-3-yl)acetamide?
The InChIKey is SRJJKHCIPNKLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS2/c6-4(8)5(9)7-1-2-10-3-7/h1-2,5,9H,3H2,(H2,6,8).
What are the key properties of 2-sulfanyl-2-(2H-1,3-thiazol-3-yl)acetamide?
2-sulfanyl-2-(2H-1,3-thiazol-3-yl)acetamide has a molecular weight of 176.27 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-2-(2H-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 88692314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).