N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide

C15H13N3O4S2 — CID 118987405

IUPACN-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide
SMILESCc1cs/c(=N\C(=O)c2ccco2)n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H13N3O4S2/c1-10-9-23-15(17-14(19)13-3-2-8-22-13)18(10)11-4-6-12(7-5-11)24(16,20)21/h2-9H,1H3,(H2,16,20,21)/b17-15-
InChIKeyCDERHMJGGNNJGN-ICFOKQHNSA-N
MW363.42 g/mol
LogP1.83
Rot. Bonds3

About N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide

N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide (PubChem CID 118987405) has the molecular formula C15H13N3O4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide
PubChem CID118987405
Molecular FormulaC15H13N3O4S2
Molecular Weight363.42 g/mol
Exact Mass363.03
IUPAC NameN-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide
SMILESCc1cs/c(=N\C(=O)c2ccco2)n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H13N3O4S2/c1-10-9-23-15(17-14(19)13-3-2-8-22-13)18(10)11-4-6-12(7-5-11)24(16,20)21/h2-9H,1H3,(H2,16,20,21)/b17-15-
InChIKeyCDERHMJGGNNJGN-ICFOKQHNSA-N
XLogP1.83
TPSA107.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide (CID 118987405) is N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide is Cc1cs/c(=N\C(=O)c2ccco2)n1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide?
The InChIKey is CDERHMJGGNNJGN-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H13N3O4S2/c1-10-9-23-15(17-14(19)13-3-2-8-22-13)18(10)11-4-6-12(7-5-11)24(16,20)21/h2-9H,1H3,(H2,16,20,21)/b17-15-.
What are the key properties of N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide?
N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(4-sulfamoylphenyl)-1,3-thiazol-2-ylidene]furan-2-carboxamide is sourced from PubChem (CID 118987405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).