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

C18H16N2O3S — CID 16556940

IUPAC2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C18H16N2O3S/c1-22-13-8-9-16(23-2)14(10-13)17(21)20-18-19-15(11-24-18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,20,21)
InChIKeyXKKPOJVEPMBPJH-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.08
Rot. Bonds5

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

2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 16556940) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID16556940
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C18H16N2O3S/c1-22-13-8-9-16(23-2)14(10-13)17(21)20-18-19-15(11-24-18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,20,21)
InChIKeyXKKPOJVEPMBPJH-UHFFFAOYSA-N
XLogP4.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 16556940) is 2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is COc1ccc(OC)c(C(=O)Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is XKKPOJVEPMBPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-13-8-9-16(23-2)14(10-13)17(21)20-18-19-15(11-24-18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 340.40 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 16556940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).