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

C14H11N2O5PS — CID 58972099

IUPAC[5-(2-amino-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
SMILESNc1nc(-c2ccc(P(=O)(O)O)o2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C14H11N2O5PS/c15-14-16-11(9-6-7-10(21-9)22(18,19)20)13(23-14)12(17)8-4-2-1-3-5-8/h1-7H,(H2,15,16)(H2,18,19,20)
InChIKeyAFHPGRNNXXBBMS-UHFFFAOYSA-N
MW350.29 g/mol
LogP2.02
Rot. Bonds4

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

[5-(2-amino-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid (PubChem CID 58972099) has the molecular formula C14H11N2O5PS and a molecular weight of 350.29 g/mol. Its IUPAC name is [5-(2-amino-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[5-(2-amino-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
PubChem CID58972099
Molecular FormulaC14H11N2O5PS
Molecular Weight350.29 g/mol
Exact Mass350.01
IUPAC Name[5-(2-amino-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
SMILESNc1nc(-c2ccc(P(=O)(O)O)o2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C14H11N2O5PS/c15-14-16-11(9-6-7-10(21-9)22(18,19)20)13(23-14)12(17)8-4-2-1-3-5-8/h1-7H,(H2,15,16)(H2,18,19,20)
InChIKeyAFHPGRNNXXBBMS-UHFFFAOYSA-N
XLogP2.02
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The IUPAC name of [5-(2-amino-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid (CID 58972099) is [5-(2-amino-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid.
What is the SMILES notation for [5-(2-amino-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The canonical SMILES for [5-(2-amino-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid is Nc1nc(-c2ccc(P(=O)(O)O)o2)c(C(=O)c2ccccc2)s1.
What is the InChIKey of [5-(2-amino-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The InChIKey is AFHPGRNNXXBBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N2O5PS/c15-14-16-11(9-6-7-10(21-9)22(18,19)20)13(23-14)12(17)8-4-2-1-3-5-8/h1-7H,(H2,15,16)(H2,18,19,20).
What are the key properties of [5-(2-amino-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
[5-(2-amino-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid has a molecular weight of 350.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-5-benzoyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid is sourced from PubChem (CID 58972099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).