N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide

C14H11N3O4S — CID 924587

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(NC1=NCCS1)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C14H11N3O4S/c18-13(16-14-15-7-8-22-14)12-6-5-11(21-12)9-3-1-2-4-10(9)17(19)20/h1-6H,7-8H2,(H,15,16,18)
InChIKeyPMAYANJXIMEVQA-UHFFFAOYSA-N
MW317.33 g/mol
LogP2.69
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 924587) has the molecular formula C14H11N3O4S and a molecular weight of 317.33 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID924587
Molecular FormulaC14H11N3O4S
Molecular Weight317.33 g/mol
Exact Mass317.05
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESO=C(NC1=NCCS1)c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C14H11N3O4S/c18-13(16-14-15-7-8-22-14)12-6-5-11(21-12)9-3-1-2-4-10(9)17(19)20/h1-6H,7-8H2,(H,15,16,18)
InChIKeyPMAYANJXIMEVQA-UHFFFAOYSA-N
XLogP2.69
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 52.69
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-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
N-(5-iodo-2-pyridinyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 2979366
5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 23877668
5-(3,4-dichlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 924589
1-[5-(2-nitrophenyl)furan-2-yl]ethanone
CID 2755858
N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 801149
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1243960
5-(2-chlorophenyl)-N-(2-nitrophenyl)furan-2-carboxamide
CID 2946540
N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 23880882
5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide
CID 17219688
N-[2-(4-methylpiperidin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 1294332
5-(2-nitrophenyl)-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
CID 43840734

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide (CID 924587) is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide is O=C(NC1=NCCS1)c1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is PMAYANJXIMEVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4S/c18-13(16-14-15-7-8-22-14)12-6-5-11(21-12)9-3-1-2-4-10(9)17(19)20/h1-6H,7-8H2,(H,15,16,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 317.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 924587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).