tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate

C17H16F2N4O3S — CID 90861006

IUPACtert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Oc2ccc3nc(N)sc3n2)c(F)cc1F
InChIInChI=1S/C17H16F2N4O3S/c1-17(2,3)26-16(24)22-11-7-12(9(19)6-8(11)18)25-13-5-4-10-14(23-13)27-15(20)21-10/h4-7H,1-3H3,(H2,20,21)(H,22,24)
InChIKeyJHWVKPQFIGEZRR-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.69
Rot. Bonds3

About tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate

tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate (PubChem CID 90861006) has the molecular formula C17H16F2N4O3S and a molecular weight of 394.40 g/mol. Its IUPAC name is tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate
PubChem CID90861006
Molecular FormulaC17H16F2N4O3S
Molecular Weight394.40 g/mol
Exact Mass394.09
IUPAC Nametert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Oc2ccc3nc(N)sc3n2)c(F)cc1F
InChIInChI=1S/C17H16F2N4O3S/c1-17(2,3)26-16(24)22-11-7-12(9(19)6-8(11)18)25-13-5-4-10-14(23-13)27-15(20)21-10/h4-7H,1-3H3,(H2,20,21)(H,22,24)
InChIKeyJHWVKPQFIGEZRR-UHFFFAOYSA-N
XLogP4.69
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[5-[(2-acetamido-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate (CID 90861006) is tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(Oc2ccc3nc(N)sc3n2)c(F)cc1F.
What is the InChIKey of tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate?
The InChIKey is JHWVKPQFIGEZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3S/c1-17(2,3)26-16(24)22-11-7-12(9(19)6-8(11)18)25-13-5-4-10-14(23-13)27-15(20)21-10/h4-7H,1-3H3,(H2,20,21)(H,22,24).
What are the key properties of tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate?
tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate has a molecular weight of 394.40 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-2,4-difluorophenyl]carbamate is sourced from PubChem (CID 90861006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).