2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

C19H18N2O3S — CID 99582165

IUPAC2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C19H18N2O3S/c1-12-20-15(11-25-12)13-6-4-7-14(10-13)21-19(22)18-16(23-2)8-5-9-17(18)24-3/h4-11H,1-3H3,(H,21,22)
InChIKeyZSLLXFLLFGAJFM-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.39
Rot. Bonds5

About 2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 99582165) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID99582165
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C19H18N2O3S/c1-12-20-15(11-25-12)13-6-4-7-14(10-13)21-19(22)18-16(23-2)8-5-9-17(18)24-3/h4-11H,1-3H3,(H,21,22)
InChIKeyZSLLXFLLFGAJFM-UHFFFAOYSA-N
XLogP4.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 99582165) is 2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1cccc(-c2csc(C)n2)c1.
What is the InChIKey of 2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is ZSLLXFLLFGAJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-20-15(11-25-12)13-6-4-7-14(10-13)21-19(22)18-16(23-2)8-5-9-17(18)24-3/h4-11H,1-3H3,(H,21,22).
What are the key properties of 2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 354.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 99582165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).