(2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid

C8H13N2O5PS — CID 22280501

IUPAC(2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid
SMILESCCCc1sc(N)nc1C(=O)OCP(=O)(O)O
InChIInChI=1S/C8H13N2O5PS/c1-2-3-5-6(10-8(9)17-5)7(11)15-4-16(12,13)14/h2-4H2,1H3,(H2,9,10)(H2,12,13,14)
InChIKeyFGLDBWWMRTZAPM-UHFFFAOYSA-N
MW280.24 g/mol
LogP0.97
Rot. Bonds5

About (2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid

(2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid (PubChem CID 22280501) has the molecular formula C8H13N2O5PS and a molecular weight of 280.24 g/mol. Its IUPAC name is (2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid.

Molecular Properties

Compound Name(2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid
PubChem CID22280501
Molecular FormulaC8H13N2O5PS
Molecular Weight280.24 g/mol
Exact Mass280.03
IUPAC Name(2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid
SMILESCCCc1sc(N)nc1C(=O)OCP(=O)(O)O
InChIInChI=1S/C8H13N2O5PS/c1-2-3-5-6(10-8(9)17-5)7(11)15-4-16(12,13)14/h2-4H2,1H3,(H2,9,10)(H2,12,13,14)
InChIKeyFGLDBWWMRTZAPM-UHFFFAOYSA-N
XLogP0.97
TPSA122.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-amino-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
CID 737584
2-Amino-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
CID 71308099
Methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate
CID 737585
2-Amino-5-pentyl-1,3-thiazole-4-carboxylic acid
CID 87190141
2-Amino-5-butyl-1,3-thiazole-4-carboxylic acid
CID 164664245
Methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate
CID 86775516
2-Azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid
CID 168719751
2-Azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid
CID 168719752
2-Azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid
CID 168719753
Methyl 2-amino-5-[3-(2,2,2-trifluoroacetyl)oxypropyl]-1,3-thiazole-4-carboxylate
CID 167520527
Ethyl 2-amino-5-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxylate
CID 177178167
Ethyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate
CID 12603724

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid?
The IUPAC name of (2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid (CID 22280501) is (2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid.
What is the SMILES notation for (2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid?
The canonical SMILES for (2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid is CCCc1sc(N)nc1C(=O)OCP(=O)(O)O.
What is the InChIKey of (2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid?
The InChIKey is FGLDBWWMRTZAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2O5PS/c1-2-3-5-6(10-8(9)17-5)7(11)15-4-16(12,13)14/h2-4H2,1H3,(H2,9,10)(H2,12,13,14).
What are the key properties of (2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid?
(2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid has a molecular weight of 280.24 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-propyl-1,3-thiazole-4-carbonyl)oxymethylphosphonic acid is sourced from PubChem (CID 22280501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).