(2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid

C12H12NO4PS — CID 46231156

IUPAC(2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid
SMILESCc1nc2c(s1)Cc1cccc(OCP(=O)(O)O)c1-2
InChIInChI=1S/C12H12NO4PS/c1-7-13-12-10(19-7)5-8-3-2-4-9(11(8)12)17-6-18(14,15)16/h2-4H,5-6H2,1H3,(H2,14,15,16)
InChIKeyDLAWXUQOWZHAQZ-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.54
Rot. Bonds3

About (2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid

(2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid (PubChem CID 46231156) has the molecular formula C12H12NO4PS and a molecular weight of 297.27 g/mol. Its IUPAC name is (2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid.

Molecular Properties

Compound Name(2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid
PubChem CID46231156
Molecular FormulaC12H12NO4PS
Molecular Weight297.27 g/mol
Exact Mass297.02
IUPAC Name(2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid
SMILESCc1nc2c(s1)Cc1cccc(OCP(=O)(O)O)c1-2
InChIInChI=1S/C12H12NO4PS/c1-7-13-12-10(19-7)5-8-3-2-4-9(11(8)12)17-6-18(14,15)16/h2-4H,5-6H2,1H3,(H2,14,15,16)
InChIKeyDLAWXUQOWZHAQZ-UHFFFAOYSA-N
XLogP2.54
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid?
The IUPAC name of (2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid (CID 46231156) is (2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid.
What is the SMILES notation for (2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid?
The canonical SMILES for (2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid is Cc1nc2c(s1)Cc1cccc(OCP(=O)(O)O)c1-2.
What is the InChIKey of (2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid?
The InChIKey is DLAWXUQOWZHAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NO4PS/c1-7-13-12-10(19-7)5-8-3-2-4-9(11(8)12)17-6-18(14,15)16/h2-4H,5-6H2,1H3,(H2,14,15,16).
What are the key properties of (2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid?
(2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid has a molecular weight of 297.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4H-indeno[1,2-d][1,3]thiazol-8-yl)oxymethylphosphonic acid is sourced from PubChem (CID 46231156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).