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

C12H11N3O4S — CID 3376734

IUPAC2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C12H11N3O4S/c1-19-9-5-3-2-4-8(9)6-10(16)14-12-13-7-11(20-12)15(17)18/h2-5,7H,6H2,1H3,(H,13,14,16)
InChIKeyOBXRVTWIPNOYED-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.24
Rot. Bonds5

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

2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 3376734) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID3376734
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C12H11N3O4S/c1-19-9-5-3-2-4-8(9)6-10(16)14-12-13-7-11(20-12)15(17)18/h2-5,7H,6H2,1H3,(H,13,14,16)
InChIKeyOBXRVTWIPNOYED-UHFFFAOYSA-N
XLogP2.24
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine
CID 103095277
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2979247
2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 23658504
N-(5-nitro-1,3-thiazol-2-yl)-2-(4-phenoxyphenoxy)acetamide
CID 127050758
ethyl 3-[(5-nitro-1,3-thiazol-2-yl)amino]-3-oxopropanoate
CID 110480880
3-(2-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2102534
ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate
CID 50908054
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 102770482
2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320230

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 3376734) is 2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is COc1ccccc1CC(=O)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is OBXRVTWIPNOYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-19-9-5-3-2-4-8(9)6-10(16)14-12-13-7-11(20-12)15(17)18/h2-5,7H,6H2,1H3,(H,13,14,16).
What are the key properties of 2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 293.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3376734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).