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

C17H13N3O4S — CID 127050443

IUPACN-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide
SMILESO=C(COc1cccc(-c2ccccc2)c1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C17H13N3O4S/c21-15(19-17-18-10-16(25-17)20(22)23)11-24-14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-10H,11H2,(H,18,19,21)
InChIKeyDYJILIKMPMUQGO-UHFFFAOYSA-N
MW355.38 g/mol
LogP3.74
Rot. Bonds6

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

N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide (PubChem CID 127050443) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide
PubChem CID127050443
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC NameN-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide
SMILESO=C(COc1cccc(-c2ccccc2)c1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C17H13N3O4S/c21-15(19-17-18-10-16(25-17)20(22)23)11-24-14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-10H,11H2,(H,18,19,21)
InChIKeyDYJILIKMPMUQGO-UHFFFAOYSA-N
XLogP3.74
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.74
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-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide
CID 3148028
2-(2,3-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 888214
2-naphthalen-2-yloxy-N-(1,3-thiazol-2-yl)acetamide
CID 910281
N-(5-nitro-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 2947324
[2-[(5-Nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 4274507
2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2977276
(5Z)-2-imino-3-(5-nitro-1,3-thiazol-2-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 118732652
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
N-(5-nitro-1,3-thiazol-2-yl)-2-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 145956191
(z)-2-(4-((2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)-N-(5-nitrothiazol-2-yl)acetamide
CID 46947465

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide?
The IUPAC name of N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide (CID 127050443) is N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide.
What is the SMILES notation for N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide?
The canonical SMILES for N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide is O=C(COc1cccc(-c2ccccc2)c1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide?
The InChIKey is DYJILIKMPMUQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c21-15(19-17-18-10-16(25-17)20(22)23)11-24-14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-10H,11H2,(H,18,19,21).
What are the key properties of N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide?
N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide has a molecular weight of 355.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide is sourced from PubChem (CID 127050443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).