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

C21H15N3O2S — CID 3353877

IUPAC3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H15N3O2S/c25-20(24-21-23-19(14-27-21)18-11-4-5-12-22-18)15-7-6-10-17(13-15)26-16-8-2-1-3-9-16/h1-14H,(H,23,24,25)
InChIKeyVMCORNABSVDYJU-UHFFFAOYSA-N
MW373.44 g/mol
LogP5.25
Rot. Bonds5

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

3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 3353877) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID3353877
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC Name3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H15N3O2S/c25-20(24-21-23-19(14-27-21)18-11-4-5-12-22-18)15-7-6-10-17(13-15)26-16-8-2-1-3-9-16/h1-14H,(H,23,24,25)
InChIKeyVMCORNABSVDYJU-UHFFFAOYSA-N
XLogP5.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 3353877) is 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is VMCORNABSVDYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S/c25-20(24-21-23-19(14-27-21)18-11-4-5-12-22-18)15-7-6-10-17(13-15)26-16-8-2-1-3-9-16/h1-14H,(H,23,24,25).
What are the key properties of 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 373.44 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3353877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).