N-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide

C11H9N3O4S — CID 6433502

IUPACN-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(/C=C/c2ccc([N+](=O)[O-])o2)cs1
InChIInChI=1S/C11H9N3O4S/c1-7(15)12-11-13-8(6-19-11)2-3-9-4-5-10(18-9)14(16)17/h2-6H,1H3,(H,12,13,15)/b3-2+
InChIKeyOHZHSLXGQCWJRV-NSCUHMNNSA-N
MW279.28 g/mol
LogP2.77
Rot. Bonds4

About N-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 6433502) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is N-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID6433502
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC NameN-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(/C=C/c2ccc([N+](=O)[O-])o2)cs1
InChIInChI=1S/C11H9N3O4S/c1-7(15)12-11-13-8(6-19-11)2-3-9-4-5-10(18-9)14(16)17/h2-6H,1H3,(H,12,13,15)/b3-2+
InChIKeyOHZHSLXGQCWJRV-NSCUHMNNSA-N
XLogP2.77
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide (CID 6433502) is N-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(/C=C/c2ccc([N+](=O)[O-])o2)cs1.
What is the InChIKey of N-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OHZHSLXGQCWJRV-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H9N3O4S/c1-7(15)12-11-13-8(6-19-11)2-3-9-4-5-10(18-9)14(16)17/h2-6H,1H3,(H,12,13,15)/b3-2+.
What are the key properties of N-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 279.28 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 6433502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).