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

C10H12N2O6P2S — CID 19992029

IUPAC[[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1nc(-c2ccccc2)cs1)P(=O)(O)O
InChIInChI=1S/C10H12N2O6P2S/c13-19(14,15)10(20(16,17)18)12-9-11-8(6-21-9)7-4-2-1-3-5-7/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)
InChIKeyQXQBDRYZIFLUOL-UHFFFAOYSA-N
MW350.23 g/mol
LogP1.86
Rot. Bonds5

About [[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid

[[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid (PubChem CID 19992029) has the molecular formula C10H12N2O6P2S and a molecular weight of 350.23 g/mol. Its IUPAC name is [[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
PubChem CID19992029
Molecular FormulaC10H12N2O6P2S
Molecular Weight350.23 g/mol
Exact Mass349.99
IUPAC Name[[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1nc(-c2ccccc2)cs1)P(=O)(O)O
InChIInChI=1S/C10H12N2O6P2S/c13-19(14,15)10(20(16,17)18)12-9-11-8(6-21-9)7-4-2-1-3-5-7/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)
InChIKeyQXQBDRYZIFLUOL-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 [[(4-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

2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 43627750
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133371204
N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 799782
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
N-(4-phenyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 17417127
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968

Frequently Asked Questions

What is the IUPAC name of [[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid?
The IUPAC name of [[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid (CID 19992029) is [[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid?
The canonical SMILES for [[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid is O=P(O)(O)C(Nc1nc(-c2ccccc2)cs1)P(=O)(O)O.
What is the InChIKey of [[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid?
The InChIKey is QXQBDRYZIFLUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6P2S/c13-19(14,15)10(20(16,17)18)12-9-11-8(6-21-9)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 [[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid?
[[(4-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 [[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 19992029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).