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

C10H12NO4PS — CID 22280661

IUPAC[2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
SMILESCC(C)c1nc(-c2occc2P(=O)(O)O)cs1
InChIInChI=1S/C10H12NO4PS/c1-6(2)10-11-7(5-17-10)9-8(3-4-15-9)16(12,13)14/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyOESLYKMFEHNJLL-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.33
Rot. Bonds3

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

[2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid (PubChem CID 22280661) has the molecular formula C10H12NO4PS and a molecular weight of 273.25 g/mol. Its IUPAC name is [2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid.

Molecular Properties

Compound Name[2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
PubChem CID22280661
Molecular FormulaC10H12NO4PS
Molecular Weight273.25 g/mol
Exact Mass273.02
IUPAC Name[2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
SMILESCC(C)c1nc(-c2occc2P(=O)(O)O)cs1
InChIInChI=1S/C10H12NO4PS/c1-6(2)10-11-7(5-17-10)9-8(3-4-15-9)16(12,13)14/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyOESLYKMFEHNJLL-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 22280668
[2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 23511483
[2-[2-(chloromethyl)-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
CID 22280447
[2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
CID 22280638
[2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 22280573
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
3-(2-propan-2-yl-1,3-thiazol-4-yl)benzoic acid
CID 55165398
triphenyl-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]methyl]phosphanium iodide
CID 11467637
N-[2-methylsulfanyl-4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 47061906
5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
CID 131701578
methyl (E)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]prop-2-enoate
CID 10891728
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374

Frequently Asked Questions

What is the IUPAC name of [2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
The IUPAC name of [2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid (CID 22280661) is [2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid.
What is the SMILES notation for [2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
The canonical SMILES for [2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid is CC(C)c1nc(-c2occc2P(=O)(O)O)cs1.
What is the InChIKey of [2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
The InChIKey is OESLYKMFEHNJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO4PS/c1-6(2)10-11-7(5-17-10)9-8(3-4-15-9)16(12,13)14/h3-6H,1-2H3,(H2,12,13,14).
What are the key properties of [2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
[2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid has a molecular weight of 273.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid is sourced from PubChem (CID 22280661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).