4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole

C10H18NO3PS — CID 46839962

IUPAC4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole
SMILESCCOP(=O)(OCC)c1csc(C(C)C)n1
InChIInChI=1S/C10H18NO3PS/c1-5-13-15(12,14-6-2)9-7-16-10(11-9)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyOLDKGJALNWOKID-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.16
Rot. Bonds6

About 4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole

4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole (PubChem CID 46839962) has the molecular formula C10H18NO3PS and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole
PubChem CID46839962
Molecular FormulaC10H18NO3PS
Molecular Weight263.30 g/mol
Exact Mass263.07
IUPAC Name4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole
SMILESCCOP(=O)(OCC)c1csc(C(C)C)n1
InChIInChI=1S/C10H18NO3PS/c1-5-13-15(12,14-6-2)9-7-16-10(11-9)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyOLDKGJALNWOKID-UHFFFAOYSA-N
XLogP3.16
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.16
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 4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole (CID 46839962) is 4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole is CCOP(=O)(OCC)c1csc(C(C)C)n1.
What is the InChIKey of 4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole?
The InChIKey is OLDKGJALNWOKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO3PS/c1-5-13-15(12,14-6-2)9-7-16-10(11-9)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole?
4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole has a molecular weight of 263.30 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 46839962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).