N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide

C17H9F3N4OS2 — CID 86664560

IUPACN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide
SMILESO=C(Nc1nccs1)c1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C17H9F3N4OS2/c18-17(19,20)10-3-1-2-9(8-10)14-23-12-11(4-5-21-15(12)27-14)13(25)24-16-22-6-7-26-16/h1-8H,(H,22,24,25)
InChIKeyGAMPADZGEMKFQT-UHFFFAOYSA-N
MW406.41 g/mol
LogP5.09
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide

N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide (PubChem CID 86664560) has the molecular formula C17H9F3N4OS2 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide
PubChem CID86664560
Molecular FormulaC17H9F3N4OS2
Molecular Weight406.41 g/mol
Exact Mass406.02
IUPAC NameN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide
SMILESO=C(Nc1nccs1)c1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C17H9F3N4OS2/c18-17(19,20)10-3-1-2-9(8-10)14-23-12-11(4-5-21-15(12)27-14)13(25)24-16-22-6-7-26-16/h1-8H,(H,22,24,25)
InChIKeyGAMPADZGEMKFQT-UHFFFAOYSA-N
XLogP5.09
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide (CID 86664560) is N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide is O=C(Nc1nccs1)c1ccnc2sc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide?
The InChIKey is GAMPADZGEMKFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4OS2/c18-17(19,20)10-3-1-2-9(8-10)14-23-12-11(4-5-21-15(12)27-14)13(25)24-16-22-6-7-26-16/h1-8H,(H,22,24,25).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide?
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridine-7-carboxamide is sourced from PubChem (CID 86664560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).