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

C11H14NO4PS — CID 53321970

IUPAC[5-[5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
SMILESCC(C)Cc1scnc1-c1ccc(P(=O)(O)O)o1
InChIInChI=1S/C11H14NO4PS/c1-7(2)5-9-11(12-6-18-9)8-3-4-10(16-8)17(13,14)15/h3-4,6-7H,5H2,1-2H3,(H2,13,14,15)
InChIKeyCZBFAIHTJQQUJB-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.40
Rot. Bonds4

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

[5-[5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid (PubChem CID 53321970) has the molecular formula C11H14NO4PS and a molecular weight of 287.28 g/mol. Its IUPAC name is [5-[5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[5-[5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
PubChem CID53321970
Molecular FormulaC11H14NO4PS
Molecular Weight287.28 g/mol
Exact Mass287.04
IUPAC Name[5-[5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid
SMILESCC(C)Cc1scnc1-c1ccc(P(=O)(O)O)o1
InChIInChI=1S/C11H14NO4PS/c1-7(2)5-9-11(12-6-18-9)8-3-4-10(16-8)17(13,14)15/h3-4,6-7H,5H2,1-2H3,(H2,13,14,15)
InChIKeyCZBFAIHTJQQUJB-UHFFFAOYSA-N
XLogP2.40
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.40
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 [5-[5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid?
The IUPAC name of [5-[5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid (CID 53321970) is [5-[5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid.
What is the SMILES notation for [5-[5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid?
The canonical SMILES for [5-[5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid is CC(C)Cc1scnc1-c1ccc(P(=O)(O)O)o1.
What is the InChIKey of [5-[5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid?
The InChIKey is CZBFAIHTJQQUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO4PS/c1-7(2)5-9-11(12-6-18-9)8-3-4-10(16-8)17(13,14)15/h3-4,6-7H,5H2,1-2H3,(H2,13,14,15).
What are the key properties of [5-[5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid?
[5-[5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid has a molecular weight of 287.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acid is sourced from PubChem (CID 53321970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).