2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide

C11H9N3O3S — CID 737179

IUPAC2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C11H9N3O3S/c12-10(15)5-11-13-9(6-18-11)7-1-3-8(4-2-7)14(16)17/h1-4,6H,5H2,(H2,12,15)
InChIKeyDIRZWLIATNEVTJ-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.75
Rot. Bonds4

About 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide

2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 737179) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID737179
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C11H9N3O3S/c12-10(15)5-11-13-9(6-18-11)7-1-3-8(4-2-7)14(16)17/h1-4,6H,5H2,(H2,12,15)
InChIKeyDIRZWLIATNEVTJ-UHFFFAOYSA-N
XLogP1.75
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide (CID 737179) is 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide is NC(=O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is DIRZWLIATNEVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c12-10(15)5-11-13-9(6-18-11)7-1-3-8(4-2-7)14(16)17/h1-4,6H,5H2,(H2,12,15).
What are the key properties of 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 263.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 737179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).