4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane

C8H17N2O3PS — CID 160840726

IUPAC4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane
SMILESC.CCOP(C)(=O)OCc1csc(N)n1
InChIInChI=1S/C7H13N2O3PS.CH4/c1-3-11-13(2,10)12-4-6-5-14-7(8)9-6;/h5H,3-4H2,1-2H3,(H2,8,9);1H4
InChIKeySHZKNNNOOMMALD-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.74
Rot. Bonds5

About 4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane

4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane (PubChem CID 160840726) has the molecular formula C8H17N2O3PS and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane.

Molecular Properties

Compound Name4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane
PubChem CID160840726
Molecular FormulaC8H17N2O3PS
Molecular Weight252.28 g/mol
Exact Mass252.07
IUPAC Name4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane
SMILESC.CCOP(C)(=O)OCc1csc(N)n1
InChIInChI=1S/C7H13N2O3PS.CH4/c1-3-11-13(2,10)12-4-6-5-14-7(8)9-6;/h5H,3-4H2,1-2H3,(H2,8,9);1H4
InChIKeySHZKNNNOOMMALD-UHFFFAOYSA-N
XLogP2.74
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane?
The IUPAC name of 4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane (CID 160840726) is 4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane.
What is the SMILES notation for 4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane?
The canonical SMILES for 4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane is C.CCOP(C)(=O)OCc1csc(N)n1.
What is the InChIKey of 4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane?
The InChIKey is SHZKNNNOOMMALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2O3PS.CH4/c1-3-11-13(2,10)12-4-6-5-14-7(8)9-6;/h5H,3-4H2,1-2H3,(H2,8,9);1H4.
What are the key properties of 4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane?
4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane has a molecular weight of 252.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane is sourced from PubChem (CID 160840726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).