N-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide

C21H15N3O5S — CID 18871338

IUPACN-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nn1c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)csc1=O
InChIInChI=1S/C21H15N3O5S/c25-20(12-14-4-2-1-3-5-14)22-23-17(13-30-21(23)26)19-11-10-18(29-19)15-6-8-16(9-7-15)24(27)28/h1-11,13H,12H2,(H,22,25)
InChIKeySHIZOBALSJAYSD-UHFFFAOYSA-N
MW421.43 g/mol
LogP4.06
Rot. Bonds6

About N-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide

N-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide (PubChem CID 18871338) has the molecular formula C21H15N3O5S and a molecular weight of 421.43 g/mol. Its IUPAC name is N-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide
PubChem CID18871338
Molecular FormulaC21H15N3O5S
Molecular Weight421.43 g/mol
Exact Mass421.07
IUPAC NameN-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nn1c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)csc1=O
InChIInChI=1S/C21H15N3O5S/c25-20(12-14-4-2-1-3-5-14)22-23-17(13-30-21(23)26)19-11-10-18(29-19)15-6-8-16(9-7-15)24(27)28/h1-11,13H,12H2,(H,22,25)
InChIKeySHIZOBALSJAYSD-UHFFFAOYSA-N
XLogP4.06
TPSA107.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide (CID 18871338) is N-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nn1c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)csc1=O.
What is the InChIKey of N-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide?
The InChIKey is SHIZOBALSJAYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O5S/c25-20(12-14-4-2-1-3-5-14)22-23-17(13-30-21(23)26)19-11-10-18(29-19)15-6-8-16(9-7-15)24(27)28/h1-11,13H,12H2,(H,22,25).
What are the key properties of N-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide?
N-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide has a molecular weight of 421.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,3-thiazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 18871338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).