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

C21H20N2O3S — CID 110333335

IUPACN-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
SMILESCOc1ccc(-c2nc(CCC(=O)Nc3ccc(C(C)=O)cc3)cs2)cc1
InChIInChI=1S/C21H20N2O3S/c1-14(24)15-3-7-17(8-4-15)22-20(25)12-9-18-13-27-21(23-18)16-5-10-19(26-2)11-6-16/h3-8,10-11,13H,9,12H2,1-2H3,(H,22,25)
InChIKeyRWMTXTKLYVNYJD-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.59
Rot. Bonds7

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

N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide (PubChem CID 110333335) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
PubChem CID110333335
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
SMILESCOc1ccc(-c2nc(CCC(=O)Nc3ccc(C(C)=O)cc3)cs2)cc1
InChIInChI=1S/C21H20N2O3S/c1-14(24)15-3-7-17(8-4-15)22-20(25)12-9-18-13-27-21(23-18)16-5-10-19(26-2)11-6-16/h3-8,10-11,13H,9,12H2,1-2H3,(H,22,25)
InChIKeyRWMTXTKLYVNYJD-UHFFFAOYSA-N
XLogP4.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333343
N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333309
ethyl 4-[3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 110333071
4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727456
N-(4-chlorophenyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330056
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8785558
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566
methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
CID 110330071
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 17468761
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330031

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide (CID 110333335) is N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide is COc1ccc(-c2nc(CCC(=O)Nc3ccc(C(C)=O)cc3)cs2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide?
The InChIKey is RWMTXTKLYVNYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-14(24)15-3-7-17(8-4-15)22-20(25)12-9-18-13-27-21(23-18)16-5-10-19(26-2)11-6-16/h3-8,10-11,13H,9,12H2,1-2H3,(H,22,25).
What are the key properties of N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide?
N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide has a molecular weight of 380.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 110333335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).