[[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid

C10H12N2O6P2S — CID 11046323

IUPAC[[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1ncc(-c2ccccc2)s1)P(=O)(O)O
InChIInChI=1S/C10H12N2O6P2S/c13-19(14,15)10(20(16,17)18)12-9-11-6-8(21-9)7-4-2-1-3-5-7/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)
InChIKeyNYAFNCJIRPPZLD-UHFFFAOYSA-N
MW350.23 g/mol
LogP1.86
Rot. Bonds5

About [[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid

[[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid (PubChem CID 11046323) has the molecular formula C10H12N2O6P2S and a molecular weight of 350.23 g/mol. Its IUPAC name is [[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
PubChem CID11046323
Molecular FormulaC10H12N2O6P2S
Molecular Weight350.23 g/mol
Exact Mass349.99
IUPAC Name[[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1ncc(-c2ccccc2)s1)P(=O)(O)O
InChIInChI=1S/C10H12N2O6P2S/c13-19(14,15)10(20(16,17)18)12-9-11-6-8(21-9)7-4-2-1-3-5-7/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)
InChIKeyNYAFNCJIRPPZLD-UHFFFAOYSA-N
XLogP1.86
TPSA139.98 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 51.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]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

Related Compounds

5-Benzyl-1,3-thiazol-2-amine
CID 691952
5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 935229
5-Phenyl-thiazol-2-ylamine
CID 873119
[[[5-(2-Phenylethyl)-1,3-thiazol-2-yl]amino]-phosphonomethyl]phosphonic acid
CID 11143347
5-benzyl-N-methyl-1,3-thiazol-2-amine
CID 1229694
5-((3-Methylphenyl)methyl)-1,3-thiazol-2-amine
CID 708605
5-[(4-Methylphenyl)methyl]-1,3-thiazol-2-amine
CID 732249
5-((2-Fluorophenyl)methyl)-1,3-thiazol-2-amine
CID 3387135
5-[(2-Methylphenyl)methyl]-1,3-thiazol-2-amine
CID 16770159
5-(4-Fluoro-benzyl)-thiazol-2-ylamine
CID 703479
5-(4-Methylphenyl)-1,3-thiazol-2-amine
CID 960760
5-((2,3,4-Trifluorophenyl)methyl)-1,3-thiazol-2-amine
CID 16769708

Frequently Asked Questions

What is the IUPAC name of [[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid?
The IUPAC name of [[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid (CID 11046323) is [[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid?
The canonical SMILES for [[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid is O=P(O)(O)C(Nc1ncc(-c2ccccc2)s1)P(=O)(O)O.
What is the InChIKey of [[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid?
The InChIKey is NYAFNCJIRPPZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6P2S/c13-19(14,15)10(20(16,17)18)12-9-11-6-8(21-9)7-4-2-1-3-5-7/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18).
What are the key properties of [[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid?
[[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid has a molecular weight of 350.23 g/mol, XLogP of 1.86, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[(5-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 11046323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).