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

C11H8N4O5S — CID 3390048

IUPAC2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H8N4O5S/c16-9(13-11-12-6-10(21-11)15(19)20)5-7-1-3-8(4-2-7)14(17)18/h1-4,6H,5H2,(H,12,13,16)
InChIKeyOUKHVHGUURTUQS-UHFFFAOYSA-N
MW308.28 g/mol
LogP2.14
Rot. Bonds5

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

2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 3390048) has the molecular formula C11H8N4O5S and a molecular weight of 308.28 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID3390048
Molecular FormulaC11H8N4O5S
Molecular Weight308.28 g/mol
Exact Mass308.02
IUPAC Name2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H8N4O5S/c16-9(13-11-12-6-10(21-11)15(19)20)5-7-1-3-8(4-2-7)14(17)18/h1-4,6H,5H2,(H,12,13,16)
InChIKeyOUKHVHGUURTUQS-UHFFFAOYSA-N
XLogP2.14
TPSA128.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-chlorophenyl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
CID 2202172
2-(2-methoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3376734
2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 3447971
6-[(5-nitro-1,3-thiazol-2-yl)amino]-6-oxohexanoic acid
CID 15741046
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 3636961
2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
CID 3575830
2-(2-acetamido-1,3-thiazol-4-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 22678801
5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 3749457
ethyl 3-[(5-nitro-1,3-thiazol-2-yl)amino]-3-oxopropanoate
CID 110480880
[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 23824251
5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474780
2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 23658504

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 3390048) is 2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is OUKHVHGUURTUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O5S/c16-9(13-11-12-6-10(21-11)15(19)20)5-7-1-3-8(4-2-7)14(17)18/h1-4,6H,5H2,(H,12,13,16).
What are the key properties of 2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 308.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3390048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).