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

C10H12NO4PS — CID 22280573

IUPAC[2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
SMILESCCc1sc(C)nc1-c1occc1P(=O)(O)O
InChIInChI=1S/C10H12NO4PS/c1-3-8-9(11-6(2)17-8)10-7(4-5-15-10)16(12,13)14/h4-5H,3H2,1-2H3,(H2,12,13,14)
InChIKeyKMDKXWIWAHGXLL-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.08
Rot. Bonds3

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

[2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid (PubChem CID 22280573) has the molecular formula C10H12NO4PS and a molecular weight of 273.25 g/mol. Its IUPAC name is [2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid.

Molecular Properties

Compound Name[2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
PubChem CID22280573
Molecular FormulaC10H12NO4PS
Molecular Weight273.25 g/mol
Exact Mass273.02
IUPAC Name[2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
SMILESCCc1sc(C)nc1-c1occc1P(=O)(O)O
InChIInChI=1S/C10H12NO4PS/c1-3-8-9(11-6(2)17-8)10-7(4-5-15-10)16(12,13)14/h4-5H,3H2,1-2H3,(H2,12,13,14)
InChIKeyKMDKXWIWAHGXLL-UHFFFAOYSA-N
XLogP2.08
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 23511483
[2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
CID 22280638
[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-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide
CID 22280393
[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]furan-3-yl]phosphonic acid
CID 22280435
[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
[2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 22280668
methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
CID 4275287
2-methylfuro[3,2-d][1,3]thiazole
CID 140729886
4-(5-diethoxyphosphorylfuran-2-yl)-2-methyl-5-(2-methylpropyl)-1,3-thiazole
CID 50993216

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
The IUPAC name of [2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid (CID 22280573) is [2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid.
What is the SMILES notation for [2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
The canonical SMILES for [2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid is CCc1sc(C)nc1-c1occc1P(=O)(O)O.
What is the InChIKey of [2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
The InChIKey is KMDKXWIWAHGXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO4PS/c1-3-8-9(11-6(2)17-8)10-7(4-5-15-10)16(12,13)14/h4-5H,3H2,1-2H3,(H2,12,13,14).
What are the key properties of [2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
[2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid has a molecular weight of 273.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid is sourced from PubChem (CID 22280573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).