N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide

C13H12N2O4S — CID 135496628

IUPACN-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide
SMILESCC(=NNC(=O)c1cccs1)c1c(O)cc(C)oc1=O
InChIInChI=1S/C13H12N2O4S/c1-7-6-9(16)11(13(18)19-7)8(2)14-15-12(17)10-4-3-5-20-10/h3-6,16H,1-2H3,(H,15,17)
InChIKeyUAHNDBJMOWCTMN-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.87
Rot. Bonds3

About N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide

N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide (PubChem CID 135496628) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide
PubChem CID135496628
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC NameN-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide
SMILESCC(=NNC(=O)c1cccs1)c1c(O)cc(C)oc1=O
InChIInChI=1S/C13H12N2O4S/c1-7-6-9(16)11(13(18)19-7)8(2)14-15-12(17)10-4-3-5-20-10/h3-6,16H,1-2H3,(H,15,17)
InChIKeyUAHNDBJMOWCTMN-UHFFFAOYSA-N
XLogP1.87
TPSA91.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide (CID 135496628) is N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide is CC(=NNC(=O)c1cccs1)c1c(O)cc(C)oc1=O.
What is the InChIKey of N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide?
The InChIKey is UAHNDBJMOWCTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-7-6-9(16)11(13(18)19-7)8(2)14-15-12(17)10-4-3-5-20-10/h3-6,16H,1-2H3,(H,15,17).
What are the key properties of N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide?
N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide has a molecular weight of 292.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 135496628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).