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

C8H7N2O5PS — CID 22280668

IUPAC[2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
SMILESNC(=O)c1nc(-c2occc2P(=O)(O)O)cs1
InChIInChI=1S/C8H7N2O5PS/c9-7(11)8-10-4(3-17-8)6-5(1-2-15-6)16(12,13)14/h1-3H,(H2,9,11)(H2,12,13,14)
InChIKeyHHWMFBINPJRVNW-UHFFFAOYSA-N
MW274.19 g/mol
LogP0.31
Rot. Bonds3

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

[2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid (PubChem CID 22280668) has the molecular formula C8H7N2O5PS and a molecular weight of 274.19 g/mol. Its IUPAC name is [2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid.

Molecular Properties

Compound Name[2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
PubChem CID22280668
Molecular FormulaC8H7N2O5PS
Molecular Weight274.19 g/mol
Exact Mass273.98
IUPAC Name[2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
SMILESNC(=O)c1nc(-c2occc2P(=O)(O)O)cs1
InChIInChI=1S/C8H7N2O5PS/c9-7(11)8-10-4(3-17-8)6-5(1-2-15-6)16(12,13)14/h1-3H,(H2,9,11)(H2,12,13,14)
InChIKeyHHWMFBINPJRVNW-UHFFFAOYSA-N
XLogP0.31
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 22280661
[2-[2-amino-5-(hydroxymethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid
CID 22280638
4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961
[2-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid;hydrobromide
CID 22280393
4-(2-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 19375958
4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide
CID 19375996
4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
CID 19375948
[2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid
CID 139950211
[4-(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 55201038
[2-(5-ethyl-2-methyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 22280573
[2-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid
CID 23511483
4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 116967907

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
The IUPAC name of [2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid (CID 22280668) is [2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid.
What is the SMILES notation for [2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
The canonical SMILES for [2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid is NC(=O)c1nc(-c2occc2P(=O)(O)O)cs1.
What is the InChIKey of [2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
The InChIKey is HHWMFBINPJRVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2O5PS/c9-7(11)8-10-4(3-17-8)6-5(1-2-15-6)16(12,13)14/h1-3H,(H2,9,11)(H2,12,13,14).
What are the key properties of [2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid?
[2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid has a molecular weight of 274.19 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoyl-1,3-thiazol-4-yl)furan-3-yl]phosphonic acid is sourced from PubChem (CID 22280668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).