5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide

C14H9N3O4S — CID 946446

IUPAC5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C14H9N3O4S/c18-13(16-14-15-6-7-22-14)12-5-4-11(21-12)9-2-1-3-10(8-9)17(19)20/h1-8H,(H,15,16,18)
InChIKeyQLKJGNMZGZENRY-UHFFFAOYSA-N
MW315.31 g/mol
LogP3.56
Rot. Bonds4

About 5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide

5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 946446) has the molecular formula C14H9N3O4S and a molecular weight of 315.31 g/mol. Its IUPAC name is 5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID946446
Molecular FormulaC14H9N3O4S
Molecular Weight315.31 g/mol
Exact Mass315.03
IUPAC Name5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C14H9N3O4S/c18-13(16-14-15-6-7-22-14)12-5-4-11(21-12)9-2-1-3-10(8-9)17(19)20/h1-8H,(H,15,16,18)
InChIKeyQLKJGNMZGZENRY-UHFFFAOYSA-N
XLogP3.56
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 53.56
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

5-(3-nitrophenyl)-N-{5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}-2-furamide
CID 1298265
5-fluoro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9508654
5-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 1084411
5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 1249045
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 2370425
5-{[(4-methylphenyl)sulfanyl]methyl}-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 2990742
N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 4782855
N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 746004
5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 844462
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 1424069
5-(3-nitrophenyl)-N-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}-2-furamide
CID 1298953
N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 652401

Frequently Asked Questions

What is the IUPAC name of 5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide (CID 946446) is 5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide is O=C(Nc1nccs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of 5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is QLKJGNMZGZENRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4S/c18-13(16-14-15-6-7-22-14)12-5-4-11(21-12)9-2-1-3-10(8-9)17(19)20/h1-8H,(H,15,16,18).
What are the key properties of 5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 315.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 946446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).