5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide

C14H8BrN3O4S — CID 71459570

IUPAC5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H8BrN3O4S/c15-9-3-1-8(2-4-9)10-5-6-11(22-10)13(19)17-14-16-7-12(23-14)18(20)21/h1-7H,(H,16,17,19)
InChIKeyLAWYLWAPMXCBED-UHFFFAOYSA-N
MW394.21 g/mol
LogP4.33
Rot. Bonds4

About 5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide

5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 71459570) has the molecular formula C14H8BrN3O4S and a molecular weight of 394.21 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID71459570
Molecular FormulaC14H8BrN3O4S
Molecular Weight394.21 g/mol
Exact Mass392.94
IUPAC Name5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H8BrN3O4S/c15-9-3-1-8(2-4-9)10-5-6-11(22-10)13(19)17-14-16-7-12(23-14)18(20)21/h1-7H,(H,16,17,19)
InChIKeyLAWYLWAPMXCBED-UHFFFAOYSA-N
XLogP4.33
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 54.33
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-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 3749457
2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107951779
3,5-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107980172
5-(4-acetylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 18081234
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
4-chloro-3-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide;5-(2-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 158926706
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 5262182
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
CID 7113449
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3982979
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 81307785

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide (CID 71459570) is 5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is LAWYLWAPMXCBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3O4S/c15-9-3-1-8(2-4-9)10-5-6-11(22-10)13(19)17-14-16-7-12(23-14)18(20)21/h1-7H,(H,16,17,19).
What are the key properties of 5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide?
5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 394.21 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 71459570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).