2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C10H8N4O3S2 — CID 4912342

IUPAC2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cn1)Nc1nccs1
InChIInChI=1S/C10H8N4O3S2/c15-8(13-10-11-3-4-18-10)6-19-9-2-1-7(5-12-9)14(16)17/h1-5H,6H2,(H,11,13,15)
InChIKeySFRGOGJCWLAYRX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.18
Rot. Bonds5

About 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 4912342) has the molecular formula C10H8N4O3S2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID4912342
Molecular FormulaC10H8N4O3S2
Molecular Weight296.33 g/mol
Exact Mass296.00
IUPAC Name2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cn1)Nc1nccs1
InChIInChI=1S/C10H8N4O3S2/c15-8(13-10-11-3-4-18-10)6-19-9-2-1-7(5-12-9)14(16)17/h1-5H,6H2,(H,11,13,15)
InChIKeySFRGOGJCWLAYRX-UHFFFAOYSA-N
XLogP2.18
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 4912342) is 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1nccs1.
What is the InChIKey of 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SFRGOGJCWLAYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3S2/c15-8(13-10-11-3-4-18-10)6-19-9-2-1-7(5-12-9)14(16)17/h1-5H,6H2,(H,11,13,15).
What are the key properties of 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-2-pyridinyl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4912342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).