N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide

C20H20N2O2S — CID 46598097

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCCOCc1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-2-24-13-16-10-8-15(9-11-16)12-21-19(23)18-14-25-20(22-18)17-6-4-3-5-7-17/h3-11,14H,2,12-13H2,1H3,(H,21,23)
InChIKeyDJAUCWBWWMKNKS-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.28
Rot. Bonds7

About N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 46598097) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID46598097
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCCOCc1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-2-24-13-16-10-8-15(9-11-16)12-21-19(23)18-14-25-20(22-18)17-6-4-3-5-7-17/h3-11,14H,2,12-13H2,1H3,(H,21,23)
InChIKeyDJAUCWBWWMKNKS-UHFFFAOYSA-N
XLogP4.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(2-phenyl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate
CID 55386593
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 55661067
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
2-(1-methylpyrazol-4-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46492572
N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037018
N-benzyl-2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065802
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119249287

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 46598097) is N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide is CCOCc1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is DJAUCWBWWMKNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-2-24-13-16-10-8-15(9-11-16)12-21-19(23)18-14-25-20(22-18)17-6-4-3-5-7-17/h3-11,14H,2,12-13H2,1H3,(H,21,23).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46598097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).