N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide

C23H17N3O4S — CID 18279241

IUPACN-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C23H17N3O4S/c27-20(15-30-19-13-11-18(12-14-19)26(28)29)24-23-25-21(16-7-3-1-4-8-16)22(31-23)17-9-5-2-6-10-17/h1-14H,15H2,(H,24,25,27)
InChIKeyVXFUUSXZTBXIBD-UHFFFAOYSA-N
MW431.47 g/mol
LogP5.40
Rot. Bonds7

About N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide

N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide (PubChem CID 18279241) has the molecular formula C23H17N3O4S and a molecular weight of 431.47 g/mol. Its IUPAC name is N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide
PubChem CID18279241
Molecular FormulaC23H17N3O4S
Molecular Weight431.47 g/mol
Exact Mass431.09
IUPAC NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C23H17N3O4S/c27-20(15-30-19-13-11-18(12-14-19)26(28)29)24-23-25-21(16-7-3-1-4-8-16)22(31-23)17-9-5-2-6-10-17/h1-14H,15H2,(H,24,25,27)
InChIKeyVXFUUSXZTBXIBD-UHFFFAOYSA-N
XLogP5.40
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.47
LogP ≤ 55.40
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-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 12525792
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-chloro-N-[4-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 2257408
N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1208686
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 108738319
N-[5-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 2279983
N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(4-nitrophenoxy)acetamide
CID 18225194
N-[2-[(2-phenoxyacetyl)amino]-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 46300029
1,1,1-trifluoro-N-[5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-yl]methanesulfonamide
CID 15838552
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1343042
2-(4-nitrophenoxy)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108727914

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide (CID 18279241) is N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is VXFUUSXZTBXIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4S/c27-20(15-30-19-13-11-18(12-14-19)26(28)29)24-23-25-21(16-7-3-1-4-8-16)22(31-23)17-9-5-2-6-10-17/h1-14H,15H2,(H,24,25,27).
What are the key properties of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide?
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 431.47 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 18279241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).