tert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate

C15H23F3N2O5S — CID 123194915

IUPACtert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1=NC2C(OC(CC(F)(F)F)C(O)C2O)S1
InChIInChI=1S/C15H23F3N2O5S/c1-5-20(13(23)25-14(2,3)4)12-19-8-10(22)9(21)7(6-15(16,17)18)24-11(8)26-12/h7-11,21-22H,5-6H2,1-4H3
InChIKeyWGDPHLSAWUYJCW-UHFFFAOYSA-N
MW400.42 g/mol
LogP2.11
Rot. Bonds2

About tert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate

tert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate (PubChem CID 123194915) has the molecular formula C15H23F3N2O5S and a molecular weight of 400.42 g/mol. Its IUPAC name is tert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate
PubChem CID123194915
Molecular FormulaC15H23F3N2O5S
Molecular Weight400.42 g/mol
Exact Mass400.13
IUPAC Nametert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C1=NC2C(OC(CC(F)(F)F)C(O)C2O)S1
InChIInChI=1S/C15H23F3N2O5S/c1-5-20(13(23)25-14(2,3)4)12-19-8-10(22)9(21)7(6-15(16,17)18)24-11(8)26-12/h7-11,21-22H,5-6H2,1-4H3
InChIKeyWGDPHLSAWUYJCW-UHFFFAOYSA-N
XLogP2.11
TPSA91.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate with MolForge

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Related Compounds

CID 69081720
CID 69081720
CID 69083530
CID 69083530
CID 69084437
CID 69084437
CID 72196665
CID 72196665
CID 72198696
CID 72198696
CID 72198698
CID 72198698
CID 72198897
CID 72198897
CID 72198899
CID 72198899
CID 72199096
CID 72199096
CID 72199097
CID 72199097
CID 72199100
CID 72199100
CID 72199101
CID 72199101

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate (CID 123194915) is tert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)C1=NC2C(OC(CC(F)(F)F)C(O)C2O)S1.
What is the InChIKey of tert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate?
The InChIKey is WGDPHLSAWUYJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O5S/c1-5-20(13(23)25-14(2,3)4)12-19-8-10(22)9(21)7(6-15(16,17)18)24-11(8)26-12/h7-11,21-22H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate?
tert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate has a molecular weight of 400.42 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6,7-dihydroxy-5-(2,2,2-trifluoroethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]-N-ethylcarbamate is sourced from PubChem (CID 123194915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).