N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

C20H22N4O4S — CID 121064088

IUPACN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCOc1ccc(-c2nc(CCNC(=O)Cn3cnc(C)cc3=O)cs2)cc1OC
InChIInChI=1S/C20H22N4O4S/c1-13-8-19(26)24(12-22-13)10-18(25)21-7-6-15-11-29-20(23-15)14-4-5-16(27-2)17(9-14)28-3/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,21,25)
InChIKeyZASVHDHPPJLEHD-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.05
Rot. Bonds8

About N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 121064088) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID121064088
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCOc1ccc(-c2nc(CCNC(=O)Cn3cnc(C)cc3=O)cs2)cc1OC
InChIInChI=1S/C20H22N4O4S/c1-13-8-19(26)24(12-22-13)10-18(25)21-7-6-15-11-29-20(23-15)14-4-5-16(27-2)17(9-14)28-3/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,21,25)
InChIKeyZASVHDHPPJLEHD-UHFFFAOYSA-N
XLogP2.05
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052817
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051990
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 121052303
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121090748
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799785
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9404295
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 33263722
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076426
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517425
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 121064088) is N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is COc1ccc(-c2nc(CCNC(=O)Cn3cnc(C)cc3=O)cs2)cc1OC.
What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is ZASVHDHPPJLEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-13-8-19(26)24(12-22-13)10-18(25)21-7-6-15-11-29-20(23-15)14-4-5-16(27-2)17(9-14)28-3/h4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,21,25).
What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 414.49 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 121064088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).