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

C15H11N3O6S — CID 71452353

IUPAC5-(4-methylperoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCOOc1ccc(-c2ccc(C(=O)Nc3ncc([N+](=O)[O-])s3)o2)cc1
InChIInChI=1S/C15H11N3O6S/c1-22-24-10-4-2-9(3-5-10)11-6-7-12(23-11)14(19)17-15-16-8-13(25-15)18(20)21/h2-8H,1H3,(H,16,17,19)
InChIKeyVPCBTTQZKJYZHN-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.50
Rot. Bonds6

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

5-(4-methylperoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 71452353) has the molecular formula C15H11N3O6S and a molecular weight of 361.34 g/mol. Its IUPAC name is 5-(4-methylperoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylperoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID71452353
Molecular FormulaC15H11N3O6S
Molecular Weight361.34 g/mol
Exact Mass361.04
IUPAC Name5-(4-methylperoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCOOc1ccc(-c2ccc(C(=O)Nc3ncc([N+](=O)[O-])s3)o2)cc1
InChIInChI=1S/C15H11N3O6S/c1-22-24-10-4-2-9(3-5-10)11-6-7-12(23-11)14(19)17-15-16-8-13(25-15)18(20)21/h2-8H,1H3,(H,16,17,19)
InChIKeyVPCBTTQZKJYZHN-UHFFFAOYSA-N
XLogP3.50
TPSA116.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.50
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'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylperoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(4-methylperoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide (CID 71452353) is 5-(4-methylperoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-methylperoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(4-methylperoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide is COOc1ccc(-c2ccc(C(=O)Nc3ncc([N+](=O)[O-])s3)o2)cc1.
What is the InChIKey of 5-(4-methylperoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is VPCBTTQZKJYZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O6S/c1-22-24-10-4-2-9(3-5-10)11-6-7-12(23-11)14(19)17-15-16-8-13(25-15)18(20)21/h2-8H,1H3,(H,16,17,19).
What are the key properties of 5-(4-methylperoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide?
5-(4-methylperoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 361.34 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylperoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 71452353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).