tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate

C15H18F3N3O3S — CID 138661672

IUPACtert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate
SMILESCOC(c1c(NC(=O)OC(C)(C)C)cnc2sc(C)nc12)C(F)(F)F
InChIInChI=1S/C15H18F3N3O3S/c1-7-20-10-9(11(23-5)15(16,17)18)8(6-19-12(10)25-7)21-13(22)24-14(2,3)4/h6,11H,1-5H3,(H,21,22)
InChIKeyHHNLAACCEPZIEQ-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.60
Rot. Bonds3

About tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate

tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate (PubChem CID 138661672) has the molecular formula C15H18F3N3O3S and a molecular weight of 377.39 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate
PubChem CID138661672
Molecular FormulaC15H18F3N3O3S
Molecular Weight377.39 g/mol
Exact Mass377.10
IUPAC Nametert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate
SMILESCOC(c1c(NC(=O)OC(C)(C)C)cnc2sc(C)nc12)C(F)(F)F
InChIInChI=1S/C15H18F3N3O3S/c1-7-20-10-9(11(23-5)15(16,17)18)8(6-19-12(10)25-7)21-13(22)24-14(2,3)4/h6,11H,1-5H3,(H,21,22)
InChIKeyHHNLAACCEPZIEQ-UHFFFAOYSA-N
XLogP4.60
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate (CID 138661672) is tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate is COC(c1c(NC(=O)OC(C)(C)C)cnc2sc(C)nc12)C(F)(F)F.
What is the InChIKey of tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate?
The InChIKey is HHNLAACCEPZIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3S/c1-7-20-10-9(11(23-5)15(16,17)18)8(6-19-12(10)25-7)21-13(22)24-14(2,3)4/h6,11H,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate?
tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate has a molecular weight of 377.39 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-methoxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate is sourced from PubChem (CID 138661672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).