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

C5H10N2O6P2S — CID 10469336

IUPAC[[(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
SMILESCc1cnc(NC(P(=O)(O)O)P(=O)(O)O)s1
InChIInChI=1S/C5H10N2O6P2S/c1-3-2-6-4(16-3)7-5(14(8,9)10)15(11,12)13/h2,5H,1H3,(H,6,7)(H2,8,9,10)(H2,11,12,13)
InChIKeyRMVOBMKURSHNFJ-UHFFFAOYSA-N
MW288.16 g/mol
LogP0.50
Rot. Bonds4

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

[[(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid (PubChem CID 10469336) has the molecular formula C5H10N2O6P2S and a molecular weight of 288.16 g/mol. Its IUPAC name is [[(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[[(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
PubChem CID10469336
Molecular FormulaC5H10N2O6P2S
Molecular Weight288.16 g/mol
Exact Mass287.97
IUPAC Name[[(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
SMILESCc1cnc(NC(P(=O)(O)O)P(=O)(O)O)s1
InChIInChI=1S/C5H10N2O6P2S/c1-3-2-6-4(16-3)7-5(14(8,9)10)15(11,12)13/h2,5H,1H3,(H,6,7)(H2,8,9,10)(H2,11,12,13)
InChIKeyRMVOBMKURSHNFJ-UHFFFAOYSA-N
XLogP0.50
TPSA139.98 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 50.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[[(5-Ethyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
CID 9972123
[Phosphono-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]methyl]phosphonic acid
CID 10860031
[[(5-Butyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
CID 10958471
[Phosphono-[(5-propyl-1,3-thiazol-2-yl)amino]methyl]phosphonic acid
CID 11001596
N,5-dimethylthiazol-2-amine
CID 817028
N,5-dimethyl-1,3-thiazol-2-amine hydrochloride
CID 137971635
5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine
CID 91253883
1-Methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea
CID 119091478
N-(2-fluoroethyl)-5-methyl-1,3-thiazol-2-amine
CID 130725337
1-(5-Methylthiazol-2-ylamino)methane-1,1-diphosphonic acid tetraethyl ester
CID 11101426
[[Butyl-(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
CID 19992030
[[(5-Methyl-1,3-thiazol-4-yl)amino]-phosphonomethyl]phosphonic acid
CID 19992034

Frequently Asked Questions

What is the IUPAC name of [[(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid?
The IUPAC name of [[(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid (CID 10469336) is [[(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [[(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid?
The canonical SMILES for [[(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid is Cc1cnc(NC(P(=O)(O)O)P(=O)(O)O)s1.
What is the InChIKey of [[(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid?
The InChIKey is RMVOBMKURSHNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O6P2S/c1-3-2-6-4(16-3)7-5(14(8,9)10)15(11,12)13/h2,5H,1H3,(H,6,7)(H2,8,9,10)(H2,11,12,13).
What are the key properties of [[(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid?
[[(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid has a molecular weight of 288.16 g/mol, XLogP of 0.50, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[(5-methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 10469336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).