acetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol

C19H30FN3O4S — CID 144830445

IUPACacetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol
SMILESCC=O.CCOc1nc2ccc(OCC3(F)CCC3)nc2s1.CNC(C)CO
InChIInChI=1S/C13H15FN2O2S.C4H11NO.C2H4O/c1-2-17-12-15-9-4-5-10(16-11(9)19-12)18-8-13(14)6-3-7-13;1-4(3-6)5-2;1-2-3/h4-5H,2-3,6-8H2,1H3;4-6H,3H2,1-2H3;2H,1H3
InChIKeyILTBULPCDQCXLK-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.15
Rot. Bonds7

About acetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol

acetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol (PubChem CID 144830445) has the molecular formula C19H30FN3O4S and a molecular weight of 415.53 g/mol. Its IUPAC name is acetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol.

Molecular Properties

Compound Nameacetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol
PubChem CID144830445
Molecular FormulaC19H30FN3O4S
Molecular Weight415.53 g/mol
Exact Mass415.19
IUPAC Nameacetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol
SMILESCC=O.CCOc1nc2ccc(OCC3(F)CCC3)nc2s1.CNC(C)CO
InChIInChI=1S/C13H15FN2O2S.C4H11NO.C2H4O/c1-2-17-12-15-9-4-5-10(16-11(9)19-12)18-8-13(14)6-3-7-13;1-4(3-6)5-2;1-2-3/h4-5H,2-3,6-8H2,1H3;4-6H,3H2,1-2H3;2H,1H3
InChIKeyILTBULPCDQCXLK-UHFFFAOYSA-N
XLogP3.15
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol?
The IUPAC name of acetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol (CID 144830445) is acetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol.
What is the SMILES notation for acetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol?
The canonical SMILES for acetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol is CC=O.CCOc1nc2ccc(OCC3(F)CCC3)nc2s1.CNC(C)CO.
What is the InChIKey of acetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol?
The InChIKey is ILTBULPCDQCXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S.C4H11NO.C2H4O/c1-2-17-12-15-9-4-5-10(16-11(9)19-12)18-8-13(14)6-3-7-13;1-4(3-6)5-2;1-2-3/h4-5H,2-3,6-8H2,1H3;4-6H,3H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol?
acetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol has a molecular weight of 415.53 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-ethoxy-5-[(1-fluorocyclobutyl)methoxy]-[1,3]thiazolo[5,4-b]pyridine;2-(methylamino)propan-1-ol is sourced from PubChem (CID 144830445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).