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

C11H8ClN3O4S — CID 3148028

IUPAC2-(4-chlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H8ClN3O4S/c12-7-1-3-8(4-2-7)19-6-9(16)14-11-13-5-10(20-11)15(17)18/h1-5H,6H2,(H,13,14,16)
InChIKeyUYTYUPKOCVMOCG-UHFFFAOYSA-N
MW313.72 g/mol
LogP2.72
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 3148028) has the molecular formula C11H8ClN3O4S and a molecular weight of 313.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID3148028
Molecular FormulaC11H8ClN3O4S
Molecular Weight313.72 g/mol
Exact Mass312.99
IUPAC Name2-(4-chlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H8ClN3O4S/c12-7-1-3-8(4-2-7)19-6-9(16)14-11-13-5-10(20-11)15(17)18/h1-5H,6H2,(H,13,14,16)
InChIKeyUYTYUPKOCVMOCG-UHFFFAOYSA-N
XLogP2.72
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 52.72
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

Acetamide, 2-(2,4-dichlorophenoxy)-N-thiazol-2-yl-
CID 667798
N-(5-nitro-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 2947324
N-(5-nitro-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2950802
2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 3152621
[2-[(5-Nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 4274507
2-(4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2899080
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 18134055
N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide
CID 127050443
N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 127050756
N-(5-nitro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide
CID 127050757
N-(5-nitro-1,3-thiazol-2-yl)-2-(4-phenoxyphenoxy)acetamide
CID 127050758
2-(4-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 307016

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 3148028) is 2-(4-chlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is O=C(COc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is UYTYUPKOCVMOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4S/c12-7-1-3-8(4-2-7)19-6-9(16)14-11-13-5-10(20-11)15(17)18/h1-5H,6H2,(H,13,14,16).
What are the key properties of 2-(4-chlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(4-chlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 313.72 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3148028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).