3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

C20H13F3N4OS — CID 66552475

IUPAC3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNc1nc2ccc(-c3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nc2s1
InChIInChI=1S/C20H13F3N4OS/c21-20(22,23)13-5-2-6-14(10-13)25-17(28)12-4-1-3-11(9-12)15-7-8-16-18(26-15)29-19(24)27-16/h1-10H,(H2,24,27)(H,25,28)
InChIKeyJNMFUCRDXMUHAS-UHFFFAOYSA-N
MW414.41 g/mol
LogP5.21
Rot. Bonds3

About 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 66552475) has the molecular formula C20H13F3N4OS and a molecular weight of 414.41 g/mol. Its IUPAC name is 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID66552475
Molecular FormulaC20H13F3N4OS
Molecular Weight414.41 g/mol
Exact Mass414.08
IUPAC Name3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNc1nc2ccc(-c3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nc2s1
InChIInChI=1S/C20H13F3N4OS/c21-20(22,23)13-5-2-6-14(10-13)25-17(28)12-4-1-3-11(9-12)15-7-8-16-18(26-15)29-19(24)27-16/h1-10H,(H2,24,27)(H,25,28)
InChIKeyJNMFUCRDXMUHAS-UHFFFAOYSA-N
XLogP5.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.41
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 66552475) is 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is Nc1nc2ccc(-c3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nc2s1.
What is the InChIKey of 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is JNMFUCRDXMUHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4OS/c21-20(22,23)13-5-2-6-14(10-13)25-17(28)12-4-1-3-11(9-12)15-7-8-16-18(26-15)29-19(24)27-16/h1-10H,(H2,24,27)(H,25,28).
What are the key properties of 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 414.41 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 66552475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).