4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide

C15H13N3O4S2 — CID 23647652

IUPAC4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(N)=NC3=O)o2)cc1
InChIInChI=1S/C15H13N3O4S2/c1-17-24(20,21)11-5-2-9(3-6-11)12-7-4-10(22-12)8-13-14(19)18-15(16)23-13/h2-8,17H,1H3,(H2,16,18,19)/b13-8-
InChIKeyFJJJERLTHDXEPT-JYRVWZFOSA-N
MW363.42 g/mol
LogP1.78
Rot. Bonds4

About 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide

4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide (PubChem CID 23647652) has the molecular formula C15H13N3O4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide
PubChem CID23647652
Molecular FormulaC15H13N3O4S2
Molecular Weight363.42 g/mol
Exact Mass363.03
IUPAC Name4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(N)=NC3=O)o2)cc1
InChIInChI=1S/C15H13N3O4S2/c1-17-24(20,21)11-5-2-9(3-6-11)12-7-4-10(22-12)8-13-14(19)18-15(16)23-13/h2-8,17H,1H3,(H2,16,18,19)/b13-8-
InChIKeyFJJJERLTHDXEPT-JYRVWZFOSA-N
XLogP1.78
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide (CID 23647652) is 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(N)=NC3=O)o2)cc1.
What is the InChIKey of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide?
The InChIKey is FJJJERLTHDXEPT-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H13N3O4S2/c1-17-24(20,21)11-5-2-9(3-6-11)12-7-4-10(22-12)8-13-14(19)18-15(16)23-13/h2-8,17H,1H3,(H2,16,18,19)/b13-8-.
What are the key properties of 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide?
4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide has a molecular weight of 363.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]furan-2-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 23647652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).