N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide

C11H5F3N4O2S — CID 139513489

IUPACN-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide
SMILESO=C(Nc1nc2ncc(C(F)(F)F)cc2s1)c1ncco1
InChIInChI=1S/C11H5F3N4O2S/c12-11(13,14)5-3-6-7(16-4-5)17-10(21-6)18-8(19)9-15-1-2-20-9/h1-4H,(H,16,17,18,19)
InChIKeyGXLPCFKSZBAPCW-UHFFFAOYSA-N
MW314.25 g/mol
LogP2.95
Rot. Bonds2

About N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide

N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide (PubChem CID 139513489) has the molecular formula C11H5F3N4O2S and a molecular weight of 314.25 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide
PubChem CID139513489
Molecular FormulaC11H5F3N4O2S
Molecular Weight314.25 g/mol
Exact Mass314.01
IUPAC NameN-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide
SMILESO=C(Nc1nc2ncc(C(F)(F)F)cc2s1)c1ncco1
InChIInChI=1S/C11H5F3N4O2S/c12-11(13,14)5-3-6-7(16-4-5)17-10(21-6)18-8(19)9-15-1-2-20-9/h1-4H,(H,16,17,18,19)
InChIKeyGXLPCFKSZBAPCW-UHFFFAOYSA-N
XLogP2.95
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide (CID 139513489) is N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide is O=C(Nc1nc2ncc(C(F)(F)F)cc2s1)c1ncco1.
What is the InChIKey of N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide?
The InChIKey is GXLPCFKSZBAPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N4O2S/c12-11(13,14)5-3-6-7(16-4-5)17-10(21-6)18-8(19)9-15-1-2-20-9/h1-4H,(H,16,17,18,19).
What are the key properties of N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide?
N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide has a molecular weight of 314.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 139513489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).