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

C10H13N2O4PS — CID 50993449

IUPAC[5-(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
SMILESCC(C)c1sc(N)nc1-c1ccc(P(=O)(O)O)o1
InChIInChI=1S/C10H13N2O4PS/c1-5(2)9-8(12-10(11)18-9)6-3-4-7(16-6)17(13,14)15/h3-5H,1-2H3,(H2,11,12)(H2,13,14,15)
InChIKeyDMIZMQGYQQQFKZ-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.91
Rot. Bonds3

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

[5-(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid (PubChem CID 50993449) has the molecular formula C10H13N2O4PS and a molecular weight of 288.26 g/mol. Its IUPAC name is [5-(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[5-(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
PubChem CID50993449
Molecular FormulaC10H13N2O4PS
Molecular Weight288.26 g/mol
Exact Mass288.03
IUPAC Name[5-(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
SMILESCC(C)c1sc(N)nc1-c1ccc(P(=O)(O)O)o1
InChIInChI=1S/C10H13N2O4PS/c1-5(2)9-8(12-10(11)18-9)6-3-4-7(16-6)17(13,14)15/h3-5H,1-2H3,(H2,11,12)(H2,13,14,15)
InChIKeyDMIZMQGYQQQFKZ-UHFFFAOYSA-N
XLogP1.91
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.91
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 [5-(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The IUPAC name of [5-(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid (CID 50993449) is [5-(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid.
What is the SMILES notation for [5-(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The canonical SMILES for [5-(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid is CC(C)c1sc(N)nc1-c1ccc(P(=O)(O)O)o1.
What is the InChIKey of [5-(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The InChIKey is DMIZMQGYQQQFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O4PS/c1-5(2)9-8(12-10(11)18-9)6-3-4-7(16-6)17(13,14)15/h3-5H,1-2H3,(H2,11,12)(H2,13,14,15).
What are the key properties of [5-(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
[5-(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid has a molecular weight of 288.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-5-propan-2-yl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid is sourced from PubChem (CID 50993449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).