2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine

C11H17FN2S — CID 59463927

IUPAC2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESCN1CCc2sc(C(C)(C)C)nc2C1F
InChIInChI=1S/C11H17FN2S/c1-11(2,3)10-13-8-7(15-10)5-6-14(4)9(8)12/h9H,5-6H2,1-4H3
InChIKeyVFFNDALFDWXLFU-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.90
Rot. Bonds

About 2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine

2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 59463927) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
PubChem CID59463927
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESCN1CCc2sc(C(C)(C)C)nc2C1F
InChIInChI=1S/C11H17FN2S/c1-11(2,3)10-13-8-7(15-10)5-6-14(4)9(8)12/h9H,5-6H2,1-4H3
InChIKeyVFFNDALFDWXLFU-UHFFFAOYSA-N
XLogP2.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (CID 59463927) is 2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is CN1CCc2sc(C(C)(C)C)nc2C1F.
What is the InChIKey of 2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is VFFNDALFDWXLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-11(2,3)10-13-8-7(15-10)5-6-14(4)9(8)12/h9H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 228.34 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-fluoro-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 59463927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).