N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide

C19H13N3O6S — CID 7916665

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C19H13N3O6S/c23-16(11-28-13-6-2-1-5-12(13)22(24)25)20-19-21-17(14-7-3-9-26-14)18(29-19)15-8-4-10-27-15/h1-10H,11H2,(H,20,21,23)
InChIKeyBFEDSAFOWYEROC-UHFFFAOYSA-N
MW411.40 g/mol
LogP4.59
Rot. Bonds7

About N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide (PubChem CID 7916665) has the molecular formula C19H13N3O6S and a molecular weight of 411.40 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
PubChem CID7916665
Molecular FormulaC19H13N3O6S
Molecular Weight411.40 g/mol
Exact Mass411.05
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C19H13N3O6S/c23-16(11-28-13-6-2-1-5-12(13)22(24)25)20-19-21-17(14-7-3-9-26-14)18(29-19)15-8-4-10-27-15/h1-10H,11H2,(H,20,21,23)
InChIKeyBFEDSAFOWYEROC-UHFFFAOYSA-N
XLogP4.59
TPSA120.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 7793934
2-(2-nitrophenoxy)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 26157880
N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 25366906
ethyl 4-methyl-2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 23969085
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 18854040
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 2088036
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 9328717
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 19210100
N-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 39043081
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 23875650
1-(furan-2-yl)-2-(2-nitrophenoxy)ethanone
CID 60625939
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide
CID 18279241

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide (CID 7916665) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccco2)c(-c2ccco2)s1.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is BFEDSAFOWYEROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O6S/c23-16(11-28-13-6-2-1-5-12(13)22(24)25)20-19-21-17(14-7-3-9-26-14)18(29-19)15-8-4-10-27-15/h1-10H,11H2,(H,20,21,23).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 411.40 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 7916665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).