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

C8H9N2O5PS — CID 22280638

IUPAC[2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
SMILESNc1nc(-c2occc2P(=O)(O)O)c(CO)s1
InChIInChI=1S/C8H9N2O5PS/c9-8-10-6(5(3-11)17-8)7-4(1-2-15-7)16(12,13)14/h1-2,11H,3H2,(H2,9,10)(H2,12,13,14)
InChIKeyVUYOXDUMZIVPSX-UHFFFAOYSA-N
MW276.21 g/mol
LogP0.28
Rot. Bonds3

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

[2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid (PubChem CID 22280638) has the molecular formula C8H9N2O5PS and a molecular weight of 276.21 g/mol. Its IUPAC name is [2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid.

Molecular Properties

Compound Name[2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
PubChem CID22280638
Molecular FormulaC8H9N2O5PS
Molecular Weight276.21 g/mol
Exact Mass276.00
IUPAC Name[2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
SMILESNc1nc(-c2occc2P(=O)(O)O)c(CO)s1
InChIInChI=1S/C8H9N2O5PS/c9-8-10-6(5(3-11)17-8)7-4(1-2-15-7)16(12,13)14/h1-2,11H,3H2,(H2,9,10)(H2,12,13,14)
InChIKeyVUYOXDUMZIVPSX-UHFFFAOYSA-N
XLogP0.28
TPSA129.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-amino-5-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
CID 22280679
[2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide
CID 22280393
[2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 22280573
[2-[2-(chloromethyl)-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
CID 22280447
[2-(2-bromo-5-methylsulfanyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 22280500
[2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 23511483
[2-(6-amino-3-methylsulfanylpyrazin-2-yl)furan-3-yl]phosphonic acid
CID 22280443
[2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 22280668
[2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 22280661
[2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid
CID 139950211
[5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid;hydrobromide
CID 156613512
[2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82133850

Frequently Asked Questions

What is the IUPAC name of [2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid?
The IUPAC name of [2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid (CID 22280638) is [2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid.
What is the SMILES notation for [2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid?
The canonical SMILES for [2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid is Nc1nc(-c2occc2P(=O)(O)O)c(CO)s1.
What is the InChIKey of [2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid?
The InChIKey is VUYOXDUMZIVPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2O5PS/c9-8-10-6(5(3-11)17-8)7-4(1-2-15-7)16(12,13)14/h1-2,11H,3H2,(H2,9,10)(H2,12,13,14).
What are the key properties of [2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid?
[2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid has a molecular weight of 276.21 g/mol, XLogP of 0.28, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid is sourced from PubChem (CID 22280638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).