3-(3,3-diethoxypropyl)-1,3-thiazol-2-one

C10H17NO3S — CID 63629304

IUPAC3-(3,3-diethoxypropyl)-1,3-thiazol-2-one
SMILESCCOC(CCn1ccsc1=O)OCC
InChIInChI=1S/C10H17NO3S/c1-3-13-9(14-4-2)5-6-11-7-8-15-10(11)12/h7-9H,3-6H2,1-2H3
InChIKeyZZFLHLQSZPDMLU-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.70
Rot. Bonds7

About 3-(3,3-diethoxypropyl)-1,3-thiazol-2-one

3-(3,3-diethoxypropyl)-1,3-thiazol-2-one (PubChem CID 63629304) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-(3,3-diethoxypropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3,3-diethoxypropyl)-1,3-thiazol-2-one
PubChem CID63629304
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name3-(3,3-diethoxypropyl)-1,3-thiazol-2-one
SMILESCCOC(CCn1ccsc1=O)OCC
InChIInChI=1S/C10H17NO3S/c1-3-13-9(14-4-2)5-6-11-7-8-15-10(11)12/h7-9H,3-6H2,1-2H3
InChIKeyZZFLHLQSZPDMLU-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diethoxypropyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(3,3-diethoxypropyl)-1,3-thiazol-2-one (CID 63629304) is 3-(3,3-diethoxypropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3,3-diethoxypropyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(3,3-diethoxypropyl)-1,3-thiazol-2-one is CCOC(CCn1ccsc1=O)OCC.
What is the InChIKey of 3-(3,3-diethoxypropyl)-1,3-thiazol-2-one?
The InChIKey is ZZFLHLQSZPDMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-3-13-9(14-4-2)5-6-11-7-8-15-10(11)12/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(3,3-diethoxypropyl)-1,3-thiazol-2-one?
3-(3,3-diethoxypropyl)-1,3-thiazol-2-one has a molecular weight of 231.32 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diethoxypropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63629304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).