2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C15H26N2OS — CID 158485888

IUPAC2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCCCOCCN1CCc2nc(C(C)(C)C)sc2C1
InChIInChI=1S/C15H26N2OS/c1-5-9-18-10-8-17-7-6-12-13(11-17)19-14(16-12)15(2,3)4/h5-11H2,1-4H3
InChIKeyABLZDXOSUHVXAF-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.23
Rot. Bonds5

About 2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 158485888) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID158485888
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCCCOCCN1CCc2nc(C(C)(C)C)sc2C1
InChIInChI=1S/C15H26N2OS/c1-5-9-18-10-8-17-7-6-12-13(11-17)19-14(16-12)15(2,3)4/h5-11H2,1-4H3
InChIKeyABLZDXOSUHVXAF-UHFFFAOYSA-N
XLogP3.23
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 158485888) is 2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is CCCOCCN1CCc2nc(C(C)(C)C)sc2C1.
What is the InChIKey of 2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is ABLZDXOSUHVXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-5-9-18-10-8-17-7-6-12-13(11-17)19-14(16-12)15(2,3)4/h5-11H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 282.45 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-propoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 158485888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).