2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide

C7H10N2O2S2 — CID 652098

IUPAC2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSCCO)Nc1nccs1
InChIInChI=1S/C7H10N2O2S2/c10-2-4-12-5-6(11)9-7-8-1-3-13-7/h1,3,10H,2,4-5H2,(H,8,9,11)
InChIKeyZAFXBALKSYLZLJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.81
Rot. Bonds5

About 2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide

2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 652098) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID652098
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSCCO)Nc1nccs1
InChIInChI=1S/C7H10N2O2S2/c10-2-4-12-5-6(11)9-7-8-1-3-13-7/h1,3,10H,2,4-5H2,(H,8,9,11)
InChIKeyZAFXBALKSYLZLJ-UHFFFAOYSA-N
XLogP0.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide (CID 652098) is 2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CSCCO)Nc1nccs1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ZAFXBALKSYLZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c10-2-4-12-5-6(11)9-7-8-1-3-13-7/h1,3,10H,2,4-5H2,(H,8,9,11).
What are the key properties of 2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide?
2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 218.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 652098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).