2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide

C11H11N5O3S — CID 11835772

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide
SMILESCn1ccnc1SCC(=O)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H11N5O3S/c1-15-5-4-12-11(15)20-7-10(17)14-9-3-2-8(6-13-9)16(18)19/h2-6H,7H2,1H3,(H,13,14,17)
InChIKeyMWIXAZURKGDAPU-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.45
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide (PubChem CID 11835772) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide
PubChem CID11835772
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide
SMILESCn1ccnc1SCC(=O)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H11N5O3S/c1-15-5-4-12-11(15)20-7-10(17)14-9-3-2-8(6-13-9)16(18)19/h2-6H,7H2,1H3,(H,13,14,17)
InChIKeyMWIXAZURKGDAPU-UHFFFAOYSA-N
XLogP1.45
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.45
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide (CID 11835772) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide is Cn1ccnc1SCC(=O)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide?
The InChIKey is MWIXAZURKGDAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-15-5-4-12-11(15)20-7-10(17)14-9-3-2-8(6-13-9)16(18)19/h2-6H,7H2,1H3,(H,13,14,17).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide has a molecular weight of 293.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-2-pyridinyl)acetamide is sourced from PubChem (CID 11835772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).