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

C22H19N3O2S — CID 3283143

IUPAC2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C
InChIInChI=1S/C22H19N3O2S/c1-3-27-19-9-5-4-7-16(19)20(26)24-18-13-15(11-10-14(18)2)21-25-17-8-6-12-23-22(17)28-21/h4-13H,3H2,1-2H3,(H,24,26)
InChIKeyKZSAMMROVMNBCM-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.32
Rot. Bonds5

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

2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 3283143) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
PubChem CID3283143
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C
InChIInChI=1S/C22H19N3O2S/c1-3-27-19-9-5-4-7-16(19)20(26)24-18-13-15(11-10-14(18)2)21-25-17-8-6-12-23-22(17)28-21/h4-13H,3H2,1-2H3,(H,24,26)
InChIKeyKZSAMMROVMNBCM-UHFFFAOYSA-N
XLogP5.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (CID 3283143) is 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C.
What is the InChIKey of 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is KZSAMMROVMNBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-3-27-19-9-5-4-7-16(19)20(26)24-18-13-15(11-10-14(18)2)21-25-17-8-6-12-23-22(17)28-21/h4-13H,3H2,1-2H3,(H,24,26).
What are the key properties of 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 3283143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).