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

C12H19FN2OS — CID 59463861

IUPAC2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethanol
SMILESCC(C)(C)c1nc2c(s1)CCN(CCO)C2F
InChIInChI=1S/C12H19FN2OS/c1-12(2,3)11-14-9-8(17-11)4-5-15(6-7-16)10(9)13/h10,16H,4-7H2,1-3H3
InChIKeyXZYYJSDFKPALNQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.26
Rot. Bonds2

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

2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethanol (PubChem CID 59463861) has the molecular formula C12H19FN2OS and a molecular weight of 258.36 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)ethanol.

Molecular Properties

Compound Name2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethanol
PubChem CID59463861
Molecular FormulaC12H19FN2OS
Molecular Weight258.36 g/mol
Exact Mass258.12
IUPAC Name2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethanol
SMILESCC(C)(C)c1nc2c(s1)CCN(CCO)C2F
InChIInChI=1S/C12H19FN2OS/c1-12(2,3)11-14-9-8(17-11)4-5-15(6-7-16)10(9)13/h10,16H,4-7H2,1-3H3
InChIKeyXZYYJSDFKPALNQ-UHFFFAOYSA-N
XLogP2.26
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
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)ethanol?
The IUPAC name of 2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethanol (CID 59463861) is 2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethanol.
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)ethanol?
The canonical SMILES for 2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethanol is CC(C)(C)c1nc2c(s1)CCN(CCO)C2F.
What is the InChIKey of 2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethanol?
The InChIKey is XZYYJSDFKPALNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2OS/c1-12(2,3)11-14-9-8(17-11)4-5-15(6-7-16)10(9)13/h10,16H,4-7H2,1-3H3.
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)ethanol?
2-(2-tert-butyl-4-fluoro-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethanol has a molecular weight of 258.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 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)ethanol is sourced from PubChem (CID 59463861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).