N-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

C23H19N3O2S — CID 67379418

IUPACN-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2nccs2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C23H19N3O2S/c1-16-5-6-18(23-25-12-13-29-23)14-21(16)26-22(27)17-7-9-20(10-8-17)28-15-19-4-2-3-11-24-19/h2-14H,15H2,1H3,(H,26,27)
InChIKeyPHBQBIRMGCWSED-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.34
Rot. Bonds6

About N-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 67379418) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID67379418
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2nccs2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C23H19N3O2S/c1-16-5-6-18(23-25-12-13-29-23)14-21(16)26-22(27)17-7-9-20(10-8-17)28-15-19-4-2-3-11-24-19/h2-14H,15H2,1H3,(H,26,27)
InChIKeyPHBQBIRMGCWSED-UHFFFAOYSA-N
XLogP5.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 67379418) is N-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1ccc(-c2nccs2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is PHBQBIRMGCWSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-16-5-6-18(23-25-12-13-29-23)14-21(16)26-22(27)17-7-9-20(10-8-17)28-15-19-4-2-3-11-24-19/h2-14H,15H2,1H3,(H,26,27).
What are the key properties of N-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 401.49 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 67379418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).