4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide

C19H19N3O2S — CID 7119156

IUPAC4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H19N3O2S/c1-2-24-17-7-5-14(6-8-17)18(23)21-11-9-16-13-25-19(22-16)15-4-3-10-20-12-15/h3-8,10,12-13H,2,9,11H2,1H3,(H,21,23)
InChIKeyUQYCAAUIDJZXTR-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.58
Rot. Bonds7

About 4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide

4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 7119156) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID7119156
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H19N3O2S/c1-2-24-17-7-5-14(6-8-17)18(23)21-11-9-16-13-25-19(22-16)15-4-3-10-20-12-15/h3-8,10,12-13H,2,9,11H2,1H3,(H,21,23)
InChIKeyUQYCAAUIDJZXTR-UHFFFAOYSA-N
XLogP3.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide (CID 7119156) is 4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide is CCOc1ccc(C(=O)NCCc2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is UQYCAAUIDJZXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-24-17-7-5-14(6-8-17)18(23)21-11-9-16-13-25-19(22-16)15-4-3-10-20-12-15/h3-8,10,12-13H,2,9,11H2,1H3,(H,21,23).
What are the key properties of 4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide?
4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 353.45 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 7119156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).