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

C11H9N3O3S — CID 745427

IUPACN-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C11H9N3O3S/c1-7(15)12-11-13-10(6-18-11)8-2-4-9(5-3-8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyDODOJPOJYPUJMW-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.68
Rot. Bonds3

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

N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 745427) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID745427
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC NameN-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C11H9N3O3S/c1-7(15)12-11-13-10(6-18-11)8-2-4-9(5-3-8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyDODOJPOJYPUJMW-UHFFFAOYSA-N
XLogP2.68
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.68
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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Related Compounds

2-Amino-4-(p-nitrophenyl)thiazole
CID 16420
N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
CID 519881
2-Amino-4-(4-aminophenyl)thiazole
CID 605564
2-Cinnamamido-4-phenylthiazole
CID 690181
4-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 718622
N1-hydroxy-N8-(4-phenylthiazol-2-yl)octanediamide
CID 10383069
N1-(4-(3-aminophenyl)thiazol-2-yl)-N8-hydroxyoctanediamide
CID 24178404
4-(4-Nitrophenyl)-2-(2-(propan-2-ylidene)hydrazinyl)thiazole
CID 4042353
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 1245792
2-Thiazolamine, N-methyl-4-(4-nitrophenyl)-
CID 560762
N-(4'-Methyl-2-(p-tolylamino)-[4,5'-bithiazol]-2'-yl)acetamide
CID 2898142
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide (CID 745427) is N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is DODOJPOJYPUJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c1-7(15)12-11-13-10(6-18-11)8-2-4-9(5-3-8)14(16)17/h2-6H,1H3,(H,12,13,15).
What are the key properties of N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 263.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 745427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).