2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C22H17N3O2S — CID 9117172

IUPAC2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1COc1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-21(25-22-24-20(15-28-22)19-12-6-7-13-23-19)18-11-5-4-8-16(18)14-27-17-9-2-1-3-10-17/h1-13,15H,14H2,(H,24,25,26)
InChIKeyZTOBBOLRKXJOSX-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.04
Rot. Bonds6

About 2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 9117172) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID9117172
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1COc1ccccc1
InChIInChI=1S/C22H17N3O2S/c26-21(25-22-24-20(15-28-22)19-12-6-7-13-23-19)18-11-5-4-8-16(18)14-27-17-9-2-1-3-10-17/h1-13,15H,14H2,(H,24,25,26)
InChIKeyZTOBBOLRKXJOSX-UHFFFAOYSA-N
XLogP5.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 9117172) is 2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1COc1ccccc1.
What is the InChIKey of 2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZTOBBOLRKXJOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-21(25-22-24-20(15-28-22)19-12-6-7-13-23-19)18-11-5-4-8-16(18)14-27-17-9-2-1-3-10-17/h1-13,15H,14H2,(H,24,25,26).
What are the key properties of 2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 387.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 9117172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).