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

C13H21FN2S — CID 59630961

IUPAC2-tert-butyl-4-fluoro-5-propyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESCCCN1CCc2sc(C(C)(C)C)nc2C1F
InChIInChI=1S/C13H21FN2S/c1-5-7-16-8-6-9-10(11(16)14)15-12(17-9)13(2,3)4/h11H,5-8H2,1-4H3
InChIKeyWSVYTAOPAQWCPZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.68
Rot. Bonds2

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

2-tert-butyl-4-fluoro-5-propyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 59630961) has the molecular formula C13H21FN2S and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-tert-butyl-4-fluoro-5-propyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-fluoro-5-propyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
PubChem CID59630961
Molecular FormulaC13H21FN2S
Molecular Weight256.39 g/mol
Exact Mass256.14
IUPAC Name2-tert-butyl-4-fluoro-5-propyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
SMILESCCCN1CCc2sc(C(C)(C)C)nc2C1F
InChIInChI=1S/C13H21FN2S/c1-5-7-16-8-6-9-10(11(16)14)15-12(17-9)13(2,3)4/h11H,5-8H2,1-4H3
InChIKeyWSVYTAOPAQWCPZ-UHFFFAOYSA-N
XLogP3.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.68
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-propyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-4-fluoro-5-propyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine (CID 59630961) is 2-tert-butyl-4-fluoro-5-propyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-4-fluoro-5-propyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-4-fluoro-5-propyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is CCCN1CCc2sc(C(C)(C)C)nc2C1F.
What is the InChIKey of 2-tert-butyl-4-fluoro-5-propyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is WSVYTAOPAQWCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2S/c1-5-7-16-8-6-9-10(11(16)14)15-12(17-9)13(2,3)4/h11H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-4-fluoro-5-propyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine?
2-tert-butyl-4-fluoro-5-propyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 256.39 g/mol, XLogP of 3.68, 2 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-propyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 59630961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).