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

C12H11N3O3S — CID 19242160

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide
SMILESCc1nc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cs1
InChIInChI=1S/C12H11N3O3S/c1-8-13-10(7-19-8)6-12(16)14-9-3-2-4-11(5-9)15(17)18/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeySOANVWVCMRAEBJ-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.54
Rot. Bonds4

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

2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide (PubChem CID 19242160) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide
PubChem CID19242160
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide
SMILESCc1nc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cs1
InChIInChI=1S/C12H11N3O3S/c1-8-13-10(7-19-8)6-12(16)14-9-3-2-4-11(5-9)15(17)18/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeySOANVWVCMRAEBJ-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

N'-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-nitrobenzohydrazide
CID 29259935
N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026123
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-nitrophenyl)acetamide
CID 51180014
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 9040817
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 9123441
N-(3-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34236869
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38205069
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(3-nitrophenyl)acetamide
CID 26574704
N-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463240
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71853136
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110483632

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide (CID 19242160) is 2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide is Cc1nc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide?
The InChIKey is SOANVWVCMRAEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-8-13-10(7-19-8)6-12(16)14-9-3-2-4-11(5-9)15(17)18/h2-5,7H,6H2,1H3,(H,14,16).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)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-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 19242160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).