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

C15H11N3O4S — CID 844462

IUPAC5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)o1
InChIInChI=1S/C15H11N3O4S/c1-9-2-7-13(22-9)14(19)17-15-16-12(8-23-15)10-3-5-11(6-4-10)18(20)21/h2-8H,1H3,(H,16,17,19)
InChIKeyYQFRLLJRMCOYKE-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.87
Rot. Bonds4

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

5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 844462) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is 5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID844462
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Name5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)o1
InChIInChI=1S/C15H11N3O4S/c1-9-2-7-13(22-9)14(19)17-15-16-12(8-23-15)10-3-5-11(6-4-10)18(20)21/h2-8H,1H3,(H,16,17,19)
InChIKeyYQFRLLJRMCOYKE-UHFFFAOYSA-N
XLogP3.87
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.87
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-(5-Nitro-2-furyl)-2-thiazolyl)acetamide
CID 10753
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 694812
N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 733820
N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 774920
Furan-2-carboxylic acid methyl-(4-phenyl-thiazol-2-yl)-amide
CID 861583
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 952237
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 2370425
2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2464348
N-(5-methyl-1,3-thiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 4782855
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 8893265
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 903361

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 844462) is 5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is Cc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)o1.
What is the InChIKey of 5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is YQFRLLJRMCOYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c1-9-2-7-13(22-9)14(19)17-15-16-12(8-23-15)10-3-5-11(6-4-10)18(20)21/h2-8H,1H3,(H,16,17,19).
What are the key properties of 5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 329.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 844462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).