2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine

C14H24FN3S — CID 59630960

IUPAC2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCc2sc(C(C)(C)C)nc2C1F
InChIInChI=1S/C14H24FN3S/c1-14(2,3)13-16-11-10(19-13)6-7-18(12(11)15)9-8-17(4)5/h12H,6-9H2,1-5H3
InChIKeyHQWZRIUMSRNTRA-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.83
Rot. Bonds3

About 2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine

2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine (PubChem CID 59630960) has the molecular formula C14H24FN3S and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine
PubChem CID59630960
Molecular FormulaC14H24FN3S
Molecular Weight285.43 g/mol
Exact Mass285.17
IUPAC Name2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCc2sc(C(C)(C)C)nc2C1F
InChIInChI=1S/C14H24FN3S/c1-14(2,3)13-16-11-10(19-13)6-7-18(12(11)15)9-8-17(4)5/h12H,6-9H2,1-5H3
InChIKeyHQWZRIUMSRNTRA-UHFFFAOYSA-N
XLogP2.83
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine (CID 59630960) is 2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine is CN(C)CCN1CCc2sc(C(C)(C)C)nc2C1F.
What is the InChIKey of 2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine?
The InChIKey is HQWZRIUMSRNTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3S/c1-14(2,3)13-16-11-10(19-13)6-7-18(12(11)15)9-8-17(4)5/h12H,6-9H2,1-5H3.
What are the key properties of 2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine?
2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine has a molecular weight of 285.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 59630960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).