[[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid

C6H12N2O4P2S — CID 11097596

IUPAC[[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid
SMILESCP(=O)(O)C(Nc1nccs1)P(C)(=O)O
InChIInChI=1S/C6H12N2O4P2S/c1-13(9,10)6(14(2,11)12)8-5-7-3-4-15-5/h3-4,6H,1-2H3,(H,7,8)(H,9,10)(H,11,12)
InChIKeyPZPDDEJUKZDGOS-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.64
Rot. Bonds4

About [[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid

[[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid (PubChem CID 11097596) has the molecular formula C6H12N2O4P2S and a molecular weight of 270.19 g/mol. Its IUPAC name is [[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid.

Molecular Properties

Compound Name[[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid
PubChem CID11097596
Molecular FormulaC6H12N2O4P2S
Molecular Weight270.19 g/mol
Exact Mass270.00
IUPAC Name[[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid
SMILESCP(=O)(O)C(Nc1nccs1)P(C)(=O)O
InChIInChI=1S/C6H12N2O4P2S/c1-13(9,10)6(14(2,11)12)8-5-7-3-4-15-5/h3-4,6H,1-2H3,(H,7,8)(H,9,10)(H,11,12)
InChIKeyPZPDDEJUKZDGOS-UHFFFAOYSA-N
XLogP1.64
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.64
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-Thiazolyl)amino]methylene]-1,1-bisphosphonate
CID 405391
N-methyl-1,3-thiazol-2-amine
CID 11959081
[1-Phosphono-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid
CID 132014663
Urea, 1-methyl-3-(2-thiazolyl)-2-thio-
CID 3037328
N-Ethyl-1,3-thiazol-2-amine
CID 13699275
Hydrogen phosphono(1,3-thiazol-3-ium-2-ylamino)methylphosphonate
CID 139161063
Thiourea, N-ethyl-N'-2-thiazolyl-
CID 4762507
[2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl]phosphonic acid
CID 22280491
N-phosphono(1,3-thiazol-2-ylamino)carboxamide
CID 3442717
[Carbamoyl(1,3-thiazol-2-yl)amino] dihydrogen phosphate
CID 123566784
N-1,3-thiazol-2-yl-urea phosphate
CID 139081372
2-Aminothiazolium (1+) dihydrogen phosphate
CID 139082542

Frequently Asked Questions

What is the IUPAC name of [[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid?
The IUPAC name of [[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid (CID 11097596) is [[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid.
What is the SMILES notation for [[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid?
The canonical SMILES for [[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid is CP(=O)(O)C(Nc1nccs1)P(C)(=O)O.
What is the InChIKey of [[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid?
The InChIKey is PZPDDEJUKZDGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4P2S/c1-13(9,10)6(14(2,11)12)8-5-7-3-4-15-5/h3-4,6H,1-2H3,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of [[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid?
[[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid has a molecular weight of 270.19 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[hydroxy(methyl)phosphoryl]-(1,3-thiazol-2-ylamino)methyl]-methylphosphinic acid is sourced from PubChem (CID 11097596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).