N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide

C20H20N2O2S — CID 84567446

IUPACN-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2csc(Cc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-3-19(23)21-16-8-6-15(7-9-16)18-13-25-20(22-18)12-14-4-10-17(24-2)11-5-14/h4-11,13H,3,12H2,1-2H3,(H,21,23)
InChIKeyWYIIPRMIZYHTLK-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.76
Rot. Bonds6

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

N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 84567446) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID84567446
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2csc(Cc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-3-19(23)21-16-8-6-15(7-9-16)18-13-25-20(22-18)12-14-4-10-17(24-2)11-5-14/h4-11,13H,3,12H2,1-2H3,(H,21,23)
InChIKeyWYIIPRMIZYHTLK-UHFFFAOYSA-N
XLogP4.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 9422708
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71691444
4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline
CID 84567447
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 2715690
N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 9173882
N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 9343938

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide (CID 84567446) is N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2csc(Cc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is WYIIPRMIZYHTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-3-19(23)21-16-8-6-15(7-9-16)18-13-25-20(22-18)12-14-4-10-17(24-2)11-5-14/h4-11,13H,3,12H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide?
N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 352.46 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 84567446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).