(2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid

C11H11N2O4PS — CID 45487847

IUPAC(2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid
SMILESNc1nc2c(s1)Cc1ccc(OCP(=O)(O)O)cc1-2
InChIInChI=1S/C11H11N2O4PS/c12-11-13-10-8-4-7(17-5-18(14,15)16)2-1-6(8)3-9(10)19-11/h1-2,4H,3,5H2,(H2,12,13)(H2,14,15,16)
InChIKeyBGZPABIXYOYEPI-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.81
Rot. Bonds3

About (2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid

(2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid (PubChem CID 45487847) has the molecular formula C11H11N2O4PS and a molecular weight of 298.26 g/mol. Its IUPAC name is (2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid.

Molecular Properties

Compound Name(2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid
PubChem CID45487847
Molecular FormulaC11H11N2O4PS
Molecular Weight298.26 g/mol
Exact Mass298.02
IUPAC Name(2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid
SMILESNc1nc2c(s1)Cc1ccc(OCP(=O)(O)O)cc1-2
InChIInChI=1S/C11H11N2O4PS/c12-11-13-10-8-4-7(17-5-18(14,15)16)2-1-6(8)3-9(10)19-11/h1-2,4H,3,5H2,(H2,12,13)(H2,14,15,16)
InChIKeyBGZPABIXYOYEPI-UHFFFAOYSA-N
XLogP1.81
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.81
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 (2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid?
The IUPAC name of (2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid (CID 45487847) is (2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid.
What is the SMILES notation for (2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid?
The canonical SMILES for (2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid is Nc1nc2c(s1)Cc1ccc(OCP(=O)(O)O)cc1-2.
What is the InChIKey of (2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid?
The InChIKey is BGZPABIXYOYEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2O4PS/c12-11-13-10-8-4-7(17-5-18(14,15)16)2-1-6(8)3-9(10)19-11/h1-2,4H,3,5H2,(H2,12,13)(H2,14,15,16).
What are the key properties of (2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid?
(2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid has a molecular weight of 298.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4H-indeno[1,2-d][1,3]thiazol-7-yl)oxymethylphosphonic acid is sourced from PubChem (CID 45487847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).