2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C12H11N3O3S — CID 2939776

IUPAC2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
InChIInChI=1S/C12H11N3O3S/c1-8-2-4-9(5-3-8)6-10(16)14-12-13-7-11(19-12)15(17)18/h2-5,7H,6H2,1H3,(H,13,14,16)
InChIKeyYQXCEIWBUQMPMX-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.54
Rot. Bonds4

About 2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 2939776) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID2939776
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2ncc([N+](=O)[O-])s2)cc1
InChIInChI=1S/C12H11N3O3S/c1-8-2-4-9(5-3-8)6-10(16)14-12-13-7-11(19-12)15(17)18/h2-5,7H,6H2,1H3,(H,13,14,16)
InChIKeyYQXCEIWBUQMPMX-UHFFFAOYSA-N
XLogP2.54
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.54
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-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
N-(5-nitro-2-thiazolyl)benzamide
CID 47359
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2726122
4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 2853283
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
Propionamide, 2-(4-isobutylphenyl)-N-(2-thiazolyl)-
CID 3042319
2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2904045
3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2915589
2-(2-chloro-6-fluorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2963114
2-(4-chlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2905580
2-methyl-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 2084159

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 2939776) is 2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is Cc1ccc(CC(=O)Nc2ncc([N+](=O)[O-])s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is YQXCEIWBUQMPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-8-2-4-9(5-3-8)6-10(16)14-12-13-7-11(19-12)15(17)18/h2-5,7H,6H2,1H3,(H,13,14,16).
What are the key properties of 2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 277.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2939776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).