2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C16H12BrN3O4S — CID 2979247

IUPAC2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2cc(Br)ccc2c1CC(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C16H12BrN3O4S/c1-24-13-5-2-9-6-10(17)3-4-11(9)12(13)7-14(21)19-16-18-8-15(25-16)20(22)23/h2-6,8H,7H2,1H3,(H,18,19,21)
InChIKeyOZAFHJKAGBTBQI-UHFFFAOYSA-N
MW422.26 g/mol
LogP4.16
Rot. Bonds5

About 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 2979247) has the molecular formula C16H12BrN3O4S and a molecular weight of 422.26 g/mol. Its IUPAC name is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID2979247
Molecular FormulaC16H12BrN3O4S
Molecular Weight422.26 g/mol
Exact Mass420.97
IUPAC Name2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2cc(Br)ccc2c1CC(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C16H12BrN3O4S/c1-24-13-5-2-9-6-10(17)3-4-11(9)12(13)7-14(21)19-16-18-8-15(25-16)20(22)23/h2-6,8H,7H2,1H3,(H,18,19,21)
InChIKeyOZAFHJKAGBTBQI-UHFFFAOYSA-N
XLogP4.16
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.26
LogP ≤ 54.16
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

2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,4-dimethyl-6-nitrophenyl)acetamide
CID 4729731
2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3376734
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
CID 4729799
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide
CID 4729727
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-chlorophenyl)acetamide
CID 4729726
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 2234260
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 23658504
2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107951779
ethyl 3-[(5-nitro-1,3-thiazol-2-yl)amino]-3-oxopropanoate
CID 110480880
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide
CID 4729784
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 4729780

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 2979247) is 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is OZAFHJKAGBTBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O4S/c1-24-13-5-2-9-6-10(17)3-4-11(9)12(13)7-14(21)19-16-18-8-15(25-16)20(22)23/h2-6,8H,7H2,1H3,(H,18,19,21).
What are the key properties of 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 422.26 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2979247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).