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

C14H16F3N3O3S — CID 138661674

IUPACtert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate
SMILESCc1nc2c(C(O)C(F)(F)F)c(NC(=O)OC(C)(C)C)cnc2s1
InChIInChI=1S/C14H16F3N3O3S/c1-6-19-9-8(10(21)14(15,16)17)7(5-18-11(9)24-6)20-12(22)23-13(2,3)4/h5,10,21H,1-4H3,(H,20,22)
InChIKeyGJHWORHPMGZCMI-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.94
Rot. Bonds2

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

tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate (PubChem CID 138661674) has the molecular formula C14H16F3N3O3S and a molecular weight of 363.36 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate
PubChem CID138661674
Molecular FormulaC14H16F3N3O3S
Molecular Weight363.36 g/mol
Exact Mass363.09
IUPAC Nametert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate
SMILESCc1nc2c(C(O)C(F)(F)F)c(NC(=O)OC(C)(C)C)cnc2s1
InChIInChI=1S/C14H16F3N3O3S/c1-6-19-9-8(10(21)14(15,16)17)7(5-18-11(9)24-6)20-12(22)23-13(2,3)4/h5,10,21H,1-4H3,(H,20,22)
InChIKeyGJHWORHPMGZCMI-UHFFFAOYSA-N
XLogP3.94
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[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-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate (CID 138661674) is tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[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-hydroxyethyl)-[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-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate is Cc1nc2c(C(O)C(F)(F)F)c(NC(=O)OC(C)(C)C)cnc2s1.
What is the InChIKey of tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate?
The InChIKey is GJHWORHPMGZCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3S/c1-6-19-9-8(10(21)14(15,16)17)7(5-18-11(9)24-6)20-12(22)23-13(2,3)4/h5,10,21H,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate?
tert-butyl N-[2-methyl-7-(2,2,2-trifluoro-1-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate has a molecular weight of 363.36 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 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-hydroxyethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate is sourced from PubChem (CID 138661674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).