[(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid

C5H9N2O3PS — CID 57164500

IUPAC[(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid
SMILESCc1cnc(NCP(=O)(O)O)s1
InChIInChI=1S/C5H9N2O3PS/c1-4-2-6-5(12-4)7-3-11(8,9)10/h2H,3H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeyNJYANBDLXUOUIC-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.00
Rot. Bonds3

About [(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid

[(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid (PubChem CID 57164500) has the molecular formula C5H9N2O3PS and a molecular weight of 208.18 g/mol. Its IUPAC name is [(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid
PubChem CID57164500
Molecular FormulaC5H9N2O3PS
Molecular Weight208.18 g/mol
Exact Mass208.01
IUPAC Name[(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid
SMILESCc1cnc(NCP(=O)(O)O)s1
InChIInChI=1S/C5H9N2O3PS/c1-4-2-6-5(12-4)7-3-11(8,9)10/h2H,3H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeyNJYANBDLXUOUIC-UHFFFAOYSA-N
XLogP1.00
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid?
The IUPAC name of [(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid (CID 57164500) is [(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid.
What is the SMILES notation for [(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid?
The canonical SMILES for [(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid is Cc1cnc(NCP(=O)(O)O)s1.
What is the InChIKey of [(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid?
The InChIKey is NJYANBDLXUOUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N2O3PS/c1-4-2-6-5(12-4)7-3-11(8,9)10/h2H,3H2,1H3,(H,6,7)(H2,8,9,10).
What are the key properties of [(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid?
[(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid has a molecular weight of 208.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-methyl-1,3-thiazol-2-yl)amino]methylphosphonic acid is sourced from PubChem (CID 57164500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).