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

C25H22N2O2S — CID 54774049

IUPAC4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(-c3nc(-c4ccccc4)cs3)cc2)cc1
InChIInChI=1S/C25H22N2O2S/c1-2-29-22-14-12-20(13-15-22)24(28)26-16-18-8-10-21(11-9-18)25-27-23(17-30-25)19-6-4-3-5-7-19/h3-15,17H,2,16H2,1H3,(H,26,28)
InChIKeyKUZUOIZDYTVNAR-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.81
Rot. Bonds7

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

4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide (PubChem CID 54774049) has the molecular formula C25H22N2O2S and a molecular weight of 414.53 g/mol. Its IUPAC name is 4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
PubChem CID54774049
Molecular FormulaC25H22N2O2S
Molecular Weight414.53 g/mol
Exact Mass414.14
IUPAC Name4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(-c3nc(-c4ccccc4)cs3)cc2)cc1
InChIInChI=1S/C25H22N2O2S/c1-2-29-22-14-12-20(13-15-22)24(28)26-16-18-8-10-21(11-9-18)25-27-23(17-30-25)19-6-4-3-5-7-19/h3-15,17H,2,16H2,1H3,(H,26,28)
InChIKeyKUZUOIZDYTVNAR-UHFFFAOYSA-N
XLogP5.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

ethyl [4-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108761174
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108762322
methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
CID 108739699
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108725348
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
butyl N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108739666
N-methyl-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1483692
3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738384

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide (CID 54774049) is 4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide is CCOc1ccc(C(=O)NCc2ccc(-c3nc(-c4ccccc4)cs3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The InChIKey is KUZUOIZDYTVNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2S/c1-2-29-22-14-12-20(13-15-22)24(28)26-16-18-8-10-21(11-9-18)25-27-23(17-30-25)19-6-4-3-5-7-19/h3-15,17H,2,16H2,1H3,(H,26,28).
What are the key properties of 4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide?
4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide has a molecular weight of 414.53 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 54774049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).