2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole

C11H20NO3PS — CID 57106322

IUPAC2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole
SMILESCCOP(=O)(CC)OCc1nc(C(C)C)cs1
InChIInChI=1S/C11H20NO3PS/c1-5-14-16(13,6-2)15-7-11-12-10(8-17-11)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyUTKZWECMYVPBEN-UHFFFAOYSA-N
MW277.33 g/mol
LogP4.03
Rot. Bonds7

About 2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole

2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole (PubChem CID 57106322) has the molecular formula C11H20NO3PS and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole
PubChem CID57106322
Molecular FormulaC11H20NO3PS
Molecular Weight277.33 g/mol
Exact Mass277.09
IUPAC Name2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole
SMILESCCOP(=O)(CC)OCc1nc(C(C)C)cs1
InChIInChI=1S/C11H20NO3PS/c1-5-14-16(13,6-2)15-7-11-12-10(8-17-11)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyUTKZWECMYVPBEN-UHFFFAOYSA-N
XLogP4.03
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole (CID 57106322) is 2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole is CCOP(=O)(CC)OCc1nc(C(C)C)cs1.
What is the InChIKey of 2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is UTKZWECMYVPBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO3PS/c1-5-14-16(13,6-2)15-7-11-12-10(8-17-11)9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole?
2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 277.33 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 57106322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).