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

C11H9N2O4PS2 — CID 50992651

IUPAC[5-(2-amino-5-thiophen-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
SMILESNc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2cccs2)s1
InChIInChI=1S/C11H9N2O4PS2/c12-11-13-9(10(20-11)7-2-1-5-19-7)6-3-4-8(17-6)18(14,15)16/h1-5H,(H2,12,13)(H2,14,15,16)
InChIKeyBINNOYSQOCDCLB-UHFFFAOYSA-N
MW328.31 g/mol
LogP2.52
Rot. Bonds3

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

[5-(2-amino-5-thiophen-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid (PubChem CID 50992651) has the molecular formula C11H9N2O4PS2 and a molecular weight of 328.31 g/mol. Its IUPAC name is [5-(2-amino-5-thiophen-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[5-(2-amino-5-thiophen-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
PubChem CID50992651
Molecular FormulaC11H9N2O4PS2
Molecular Weight328.31 g/mol
Exact Mass327.97
IUPAC Name[5-(2-amino-5-thiophen-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
SMILESNc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2cccs2)s1
InChIInChI=1S/C11H9N2O4PS2/c12-11-13-9(10(20-11)7-2-1-5-19-7)6-3-4-8(17-6)18(14,15)16/h1-5H,(H2,12,13)(H2,14,15,16)
InChIKeyBINNOYSQOCDCLB-UHFFFAOYSA-N
XLogP2.52
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 52.52
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-thiophen-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The IUPAC name of [5-(2-amino-5-thiophen-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid (CID 50992651) is [5-(2-amino-5-thiophen-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid.
What is the SMILES notation for [5-(2-amino-5-thiophen-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The canonical SMILES for [5-(2-amino-5-thiophen-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid is Nc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2cccs2)s1.
What is the InChIKey of [5-(2-amino-5-thiophen-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The InChIKey is BINNOYSQOCDCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N2O4PS2/c12-11-13-9(10(20-11)7-2-1-5-19-7)6-3-4-8(17-6)18(14,15)16/h1-5H,(H2,12,13)(H2,14,15,16).
What are the key properties of [5-(2-amino-5-thiophen-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
[5-(2-amino-5-thiophen-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid has a molecular weight of 328.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-5-thiophen-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid is sourced from PubChem (CID 50992651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).