acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine

C28H43N5O3S — CID 145451295

IUPACacetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESC#C.CCN1CCc2sc(N3CCCC(OC)C3)nc2C1.Cc1cc(CC(=O)NC2CCCCC2)on1
InChIInChI=1S/C14H23N3OS.C12H18N2O2.C2H2/c1-3-16-8-6-13-12(10-16)15-14(19-13)17-7-4-5-11(9-17)18-2;1-9-7-11(16-14-9)8-12(15)13-10-5-3-2-4-6-10;1-2/h11H,3-10H2,1-2H3;7,10H,2-6,8H2,1H3,(H,13,15);1-2H
InChIKeyZSOYWLNTVDHBJZ-UHFFFAOYSA-N
MW529.75 g/mol
LogP4.36
Rot. Bonds6

About acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine

acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 145451295) has the molecular formula C28H43N5O3S and a molecular weight of 529.75 g/mol. Its IUPAC name is acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Nameacetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
PubChem CID145451295
Molecular FormulaC28H43N5O3S
Molecular Weight529.75 g/mol
Exact Mass529.31
IUPAC Nameacetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESC#C.CCN1CCc2sc(N3CCCC(OC)C3)nc2C1.Cc1cc(CC(=O)NC2CCCCC2)on1
InChIInChI=1S/C14H23N3OS.C12H18N2O2.C2H2/c1-3-16-8-6-13-12(10-16)15-14(19-13)17-7-4-5-11(9-17)18-2;1-9-7-11(16-14-9)8-12(15)13-10-5-3-2-4-6-10;1-2/h11H,3-10H2,1-2H3;7,10H,2-6,8H2,1H3,(H,13,15);1-2H
InChIKeyZSOYWLNTVDHBJZ-UHFFFAOYSA-N
XLogP4.36
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.75
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (CID 145451295) is acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is C#C.CCN1CCc2sc(N3CCCC(OC)C3)nc2C1.Cc1cc(CC(=O)NC2CCCCC2)on1.
What is the InChIKey of acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is ZSOYWLNTVDHBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS.C12H18N2O2.C2H2/c1-3-16-8-6-13-12(10-16)15-14(19-13)17-7-4-5-11(9-17)18-2;1-9-7-11(16-14-9)8-12(15)13-10-5-3-2-4-6-10;1-2/h11H,3-10H2,1-2H3;7,10H,2-6,8H2,1H3,(H,13,15);1-2H.
What are the key properties of acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 529.75 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 145451295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).