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

C17H13N3O3S — CID 972919

IUPAC2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)Nc1ccccc1
InChIInChI=1S/C17H13N3O3S/c21-16(18-13-4-2-1-3-5-13)10-17-19-15(11-24-17)12-6-8-14(9-7-12)20(22)23/h1-9,11H,10H2,(H,18,21)
InChIKeyRJFXEJXAJQTQDL-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.90
Rot. Bonds5

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

2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 972919) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID972919
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)Nc1ccccc1
InChIInChI=1S/C17H13N3O3S/c21-16(18-13-4-2-1-3-5-13)10-17-19-15(11-24-17)12-6-8-14(9-7-12)20(22)23/h1-9,11H,10H2,(H,18,21)
InChIKeyRJFXEJXAJQTQDL-UHFFFAOYSA-N
XLogP3.90
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.90
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

3-[2-(4-Amino-phenyl)-thiazol-4-yl]-1H-quinolin-2-one
CID 10149743
2-[4-(4-Nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 737179
2-Isopropyl-4-(4-nitrophenyl)thiazole
CID 882371
3-(2-Phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinolin-2-one
CID 22638512
N-(3-fluoro-4-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2548953
N-(4-(2-methylthiazol-4-yl)phenyl)-2-phenylacetamide
CID 2110572
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 8534185
2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 704426
N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide
CID 785022
N-hydroxy-3-[2-[2-(4-nitrophenyl)ethyl]-1,3-thiazol-4-yl]propanamide
CID 148123770
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 737888
N-[4-(2-Methyl-thiazol-4-yl)-phenyl]-propionamide
CID 737891

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide (CID 972919) is 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide is O=C(Cc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)Nc1ccccc1.
What is the InChIKey of 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is RJFXEJXAJQTQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-16(18-13-4-2-1-3-5-13)10-17-19-15(11-24-17)12-6-8-14(9-7-12)20(22)23/h1-9,11H,10H2,(H,18,21).
What are the key properties of 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 339.38 g/mol, XLogP of 3.90, 5 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]-N-phenylacetamide is sourced from PubChem (CID 972919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).