[5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid

C8H9N2O4PS — CID 50993448

IUPAC[5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
SMILESCc1sc(N)nc1-c1ccc(P(=O)(O)O)o1
InChIInChI=1S/C8H9N2O4PS/c1-4-7(10-8(9)16-4)5-2-3-6(14-5)15(11,12)13/h2-3H,1H3,(H2,9,10)(H2,11,12,13)
InChIKeyLQCHSMLGVOGEIH-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.10
Rot. Bonds2

About [5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid

[5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid (PubChem CID 50993448) has the molecular formula C8H9N2O4PS and a molecular weight of 260.21 g/mol. Its IUPAC name is [5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
PubChem CID50993448
Molecular FormulaC8H9N2O4PS
Molecular Weight260.21 g/mol
Exact Mass260.00
IUPAC Name[5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
SMILESCc1sc(N)nc1-c1ccc(P(=O)(O)O)o1
InChIInChI=1S/C8H9N2O4PS/c1-4-7(10-8(9)16-4)5-2-3-6(14-5)15(11,12)13/h2-3H,1H3,(H2,9,10)(H2,11,12,13)
InChIKeyLQCHSMLGVOGEIH-UHFFFAOYSA-N
XLogP1.10
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid 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 [5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The IUPAC name of [5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid (CID 50993448) is [5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid.
What is the SMILES notation for [5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The canonical SMILES for [5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid is Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1.
What is the InChIKey of [5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The InChIKey is LQCHSMLGVOGEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2O4PS/c1-4-7(10-8(9)16-4)5-2-3-6(14-5)15(11,12)13/h2-3H,1H3,(H2,9,10)(H2,11,12,13).
What are the key properties of [5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
[5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid has a molecular weight of 260.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-5-methyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid is sourced from PubChem (CID 50993448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).