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

C7H7N2O4PS — CID 53324367

IUPAC[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
SMILESNc1nc(-c2ccc(P(=O)(O)O)o2)cs1
InChIInChI=1S/C7H7N2O4PS/c8-7-9-4(3-15-7)5-1-2-6(13-5)14(10,11)12/h1-3H,(H2,8,9)(H2,10,11,12)
InChIKeyXOYGBRACXGLYQV-UHFFFAOYSA-N
MW246.18 g/mol
LogP0.79
Rot. Bonds2

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

[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid (PubChem CID 53324367) has the molecular formula C7H7N2O4PS and a molecular weight of 246.18 g/mol. Its IUPAC name is [5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
PubChem CID53324367
Molecular FormulaC7H7N2O4PS
Molecular Weight246.18 g/mol
Exact Mass245.99
IUPAC Name[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
SMILESNc1nc(-c2ccc(P(=O)(O)O)o2)cs1
InChIInChI=1S/C7H7N2O4PS/c8-7-9-4(3-15-7)5-1-2-6(13-5)14(10,11)12/h1-3H,(H2,8,9)(H2,10,11,12)
InChIKeyXOYGBRACXGLYQV-UHFFFAOYSA-N
XLogP0.79
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The IUPAC name of [5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid (CID 53324367) is [5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid.
What is the SMILES notation for [5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The canonical SMILES for [5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid is Nc1nc(-c2ccc(P(=O)(O)O)o2)cs1.
What is the InChIKey of [5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The InChIKey is XOYGBRACXGLYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O4PS/c8-7-9-4(3-15-7)5-1-2-6(13-5)14(10,11)12/h1-3H,(H2,8,9)(H2,10,11,12).
What are the key properties of [5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid has a molecular weight of 246.18 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid is sourced from PubChem (CID 53324367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).