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

C21H17N3O2S — CID 3397111

IUPAC2-ethoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1
InChIInChI=1S/C21H17N3O2S/c1-2-26-18-8-4-3-6-16(18)19(25)23-15-11-9-14(10-12-15)20-24-17-7-5-13-22-21(17)27-20/h3-13H,2H2,1H3,(H,23,25)
InChIKeyXSDRHOLPYARJNB-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.01
Rot. Bonds5

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

2-ethoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 3397111) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-ethoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
PubChem CID3397111
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name2-ethoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1
InChIInChI=1S/C21H17N3O2S/c1-2-26-18-8-4-3-6-16(18)19(25)23-15-11-9-14(10-12-15)20-24-17-7-5-13-22-21(17)27-20/h3-13H,2H2,1H3,(H,23,25)
InChIKeyXSDRHOLPYARJNB-UHFFFAOYSA-N
XLogP5.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (CID 3397111) is 2-ethoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1.
What is the InChIKey of 2-ethoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is XSDRHOLPYARJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-2-26-18-8-4-3-6-16(18)19(25)23-15-11-9-14(10-12-15)20-24-17-7-5-13-22-21(17)27-20/h3-13H,2H2,1H3,(H,23,25).
What are the key properties of 2-ethoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
2-ethoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 375.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 3397111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).