disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide

C5H5N2Na2O4PS — CID 53319122

IUPACdisodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CP(=O)([O-])[O-])Nc1nccs1.[Na+].[Na+]
InChIInChI=1S/C5H7N2O4PS.2Na/c8-4(3-12(9,10)11)7-5-6-1-2-13-5;;/h1-2H,3H2,(H,6,7,8)(H2,9,10,11);;/q;2*+1/p-2
InChIKeyAQDUZUJPTPAENU-UHFFFAOYSA-L
MW266.13 g/mol
LogP-7.00
Rot. Bonds3

About disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide

disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 53319122) has the molecular formula C5H5N2Na2O4PS and a molecular weight of 266.13 g/mol. Its IUPAC name is disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Namedisodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide
PubChem CID53319122
Molecular FormulaC5H5N2Na2O4PS
Molecular Weight266.13 g/mol
Exact Mass265.95
IUPAC Namedisodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CP(=O)([O-])[O-])Nc1nccs1.[Na+].[Na+]
InChIInChI=1S/C5H7N2O4PS.2Na/c8-4(3-12(9,10)11)7-5-6-1-2-13-5;;/h1-2H,3H2,(H,6,7,8)(H2,9,10,11);;/q;2*+1/p-2
InChIKeyAQDUZUJPTPAENU-UHFFFAOYSA-L
XLogP-7.00
TPSA105.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 5-7.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578
3-(2-methylhydrazinyl)-3-oxo-N-(1,3-thiazol-2-yl)propanamide
CID 129281286
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110703373
2-(2-aminophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16772949
5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761
(3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide
CID 20712410
5-ethyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 3354816
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425

Frequently Asked Questions

What is the IUPAC name of disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide (CID 53319122) is disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide is O=C(CP(=O)([O-])[O-])Nc1nccs1.[Na+].[Na+].
What is the InChIKey of disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is AQDUZUJPTPAENU-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H7N2O4PS.2Na/c8-4(3-12(9,10)11)7-5-6-1-2-13-5;;/h1-2H,3H2,(H,6,7,8)(H2,9,10,11);;/q;2*+1/p-2.
What are the key properties of disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide?
disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 266.13 g/mol, XLogP of -7.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 53319122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).