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

C11H14NO4PS — CID 23511483

IUPAC[2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
SMILESCc1nc(-c2occc2P(=O)(O)O)c(C(C)C)s1
InChIInChI=1S/C11H14NO4PS/c1-6(2)11-9(12-7(3)18-11)10-8(4-5-16-10)17(13,14)15/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyDTRROFKRBPZMSD-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.64
Rot. Bonds3

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

[2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid (PubChem CID 23511483) has the molecular formula C11H14NO4PS and a molecular weight of 287.28 g/mol. Its IUPAC name is [2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid.

Molecular Properties

Compound Name[2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
PubChem CID23511483
Molecular FormulaC11H14NO4PS
Molecular Weight287.28 g/mol
Exact Mass287.04
IUPAC Name[2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
SMILESCc1nc(-c2occc2P(=O)(O)O)c(C(C)C)s1
InChIInChI=1S/C11H14NO4PS/c1-6(2)11-9(12-7(3)18-11)10-8(4-5-16-10)17(13,14)15/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyDTRROFKRBPZMSD-UHFFFAOYSA-N
XLogP2.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.64
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-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 22280573
[2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 22280661
[2-(2-bromo-5-methylsulfanyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 22280500
[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-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]furan-3-yl]phosphonic acid
CID 22280435
[2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid
CID 139950211
[2-[2-acetamido-5-(methoxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
CID 22280682
[2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 22280668
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
CID 47317372
2-methylfuro[3,2-d][1,3]thiazole
CID 140729886
N'-hydroxy-4-[2-[2-[4-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethoxy]benzenecarboximidamide
CID 44628260

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
The IUPAC name of [2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid (CID 23511483) is [2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid.
What is the SMILES notation for [2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
The canonical SMILES for [2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid is Cc1nc(-c2occc2P(=O)(O)O)c(C(C)C)s1.
What is the InChIKey of [2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
The InChIKey is DTRROFKRBPZMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO4PS/c1-6(2)11-9(12-7(3)18-11)10-8(4-5-16-10)17(13,14)15/h4-6H,1-3H3,(H2,13,14,15).
What are the key properties of [2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
[2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid has a molecular weight of 287.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid is sourced from PubChem (CID 23511483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).