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

C13H20FN3O2S — CID 59464018

IUPAC2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
SMILESCON(C)C(=O)N1CCc2sc(C(C)(C)C)nc2C1F
InChIInChI=1S/C13H20FN3O2S/c1-13(2,3)11-15-9-8(20-11)6-7-17(10(9)14)12(18)16(4)19-5/h10H,6-7H2,1-5H3
InChIKeyMAFDIEJGUQHLRA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.88
Rot. Bonds1

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

2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 59464018) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
PubChem CID59464018
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC Name2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
SMILESCON(C)C(=O)N1CCc2sc(C(C)(C)C)nc2C1F
InChIInChI=1S/C13H20FN3O2S/c1-13(2,3)11-15-9-8(20-11)6-7-17(10(9)14)12(18)16(4)19-5/h10H,6-7H2,1-5H3
InChIKeyMAFDIEJGUQHLRA-UHFFFAOYSA-N
XLogP2.88
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide (CID 59464018) is 2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide is CON(C)C(=O)N1CCc2sc(C(C)(C)C)nc2C1F.
What is the InChIKey of 2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is MAFDIEJGUQHLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-13(2,3)11-15-9-8(20-11)6-7-17(10(9)14)12(18)16(4)19-5/h10H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-fluoro-N-methoxy-N-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 59464018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).