3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C17H15N3O3S — CID 2660457

IUPAC3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C17H15N3O3S/c1-22-12-7-11(8-13(9-12)23-2)16(21)20-17-19-15(10-24-17)14-5-3-4-6-18-14/h3-10H,1-2H3,(H,19,20,21)
InChIKeyOKSYUMWWNKFBJY-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.47
Rot. Bonds5

About 3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 2660457) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID2660457
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C17H15N3O3S/c1-22-12-7-11(8-13(9-12)23-2)16(21)20-17-19-15(10-24-17)14-5-3-4-6-18-14/h3-10H,1-2H3,(H,19,20,21)
InChIKeyOKSYUMWWNKFBJY-UHFFFAOYSA-N
XLogP3.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 2660457) is 3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is COc1cc(OC)cc(C(=O)Nc2nc(-c3ccccn3)cs2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is OKSYUMWWNKFBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-12-7-11(8-13(9-12)23-2)16(21)20-17-19-15(10-24-17)14-5-3-4-6-18-14/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of 3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 341.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2660457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).