(1,3-thiazol-2-ylcarbamoylamino)phosphonic acid

C4H6N3O4PS — CID 3442717

IUPAC(1,3-thiazol-2-ylcarbamoylamino)phosphonic acid
SMILESO=C(Nc1nccs1)NP(=O)(O)O
InChIInChI=1S/C4H6N3O4PS/c8-3(7-12(9,10)11)6-4-5-1-2-13-4/h1-2H,(H4,5,6,7,8,9,10,11)
InChIKeyIFZBQXIGEJSZHI-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.36
Rot. Bonds2

About (1,3-thiazol-2-ylcarbamoylamino)phosphonic acid

(1,3-thiazol-2-ylcarbamoylamino)phosphonic acid (PubChem CID 3442717) has the molecular formula C4H6N3O4PS and a molecular weight of 223.15 g/mol. Its IUPAC name is (1,3-thiazol-2-ylcarbamoylamino)phosphonic acid.

Molecular Properties

Compound Name(1,3-thiazol-2-ylcarbamoylamino)phosphonic acid
PubChem CID3442717
Molecular FormulaC4H6N3O4PS
Molecular Weight223.15 g/mol
Exact Mass222.98
IUPAC Name(1,3-thiazol-2-ylcarbamoylamino)phosphonic acid
SMILESO=C(Nc1nccs1)NP(=O)(O)O
InChIInChI=1S/C4H6N3O4PS/c8-3(7-12(9,10)11)6-4-5-1-2-13-4/h1-2H,(H4,5,6,7,8,9,10,11)
InChIKeyIFZBQXIGEJSZHI-UHFFFAOYSA-N
XLogP0.36
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1,3-thiazol-2-ylcarbamoylamino)phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,3-thiazol-2-ylcarbamoylamino)phosphonic acid?
The IUPAC name of (1,3-thiazol-2-ylcarbamoylamino)phosphonic acid (CID 3442717) is (1,3-thiazol-2-ylcarbamoylamino)phosphonic acid.
What is the SMILES notation for (1,3-thiazol-2-ylcarbamoylamino)phosphonic acid?
The canonical SMILES for (1,3-thiazol-2-ylcarbamoylamino)phosphonic acid is O=C(Nc1nccs1)NP(=O)(O)O.
What is the InChIKey of (1,3-thiazol-2-ylcarbamoylamino)phosphonic acid?
The InChIKey is IFZBQXIGEJSZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N3O4PS/c8-3(7-12(9,10)11)6-4-5-1-2-13-4/h1-2H,(H4,5,6,7,8,9,10,11).
What are the key properties of (1,3-thiazol-2-ylcarbamoylamino)phosphonic acid?
(1,3-thiazol-2-ylcarbamoylamino)phosphonic acid has a molecular weight of 223.15 g/mol, XLogP of 0.36, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-thiazol-2-ylcarbamoylamino)phosphonic acid is sourced from PubChem (CID 3442717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).