2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C22H20N4O4S — CID 87862439

IUPAC2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2nccc(Oc3ccc(CC(=O)Nc4nc(C)cs4)c(OC)c3)c2n1
InChIInChI=1S/C22H20N4O4S/c1-13-12-31-22(24-13)25-19(27)10-14-4-5-15(11-18(14)28-2)30-17-8-9-23-16-6-7-20(29-3)26-21(16)17/h4-9,11-12H,10H2,1-3H3,(H,24,25,27)
InChIKeyQRKZETDHRRGJLJ-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.39
Rot. Bonds7

About 2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 87862439) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID87862439
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2nccc(Oc3ccc(CC(=O)Nc4nc(C)cs4)c(OC)c3)c2n1
InChIInChI=1S/C22H20N4O4S/c1-13-12-31-22(24-13)25-19(27)10-14-4-5-15(11-18(14)28-2)30-17-8-9-23-16-6-7-20(29-3)26-21(16)17/h4-9,11-12H,10H2,1-3H3,(H,24,25,27)
InChIKeyQRKZETDHRRGJLJ-UHFFFAOYSA-N
XLogP4.39
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 16911637
2-(2,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 36539541
2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55723018
N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 63363217
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30941542
N-(5-ethyl-1,2-oxazol-3-yl)-2-[2-methoxy-4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide
CID 24826072
3-(2-methoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2522764
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 159385816
2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide
CID 126737915
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide
CID 24759202
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 24759091
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 24759093

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 87862439) is 2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COc1ccc2nccc(Oc3ccc(CC(=O)Nc4nc(C)cs4)c(OC)c3)c2n1.
What is the InChIKey of 2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QRKZETDHRRGJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-13-12-31-22(24-13)25-19(27)10-14-4-5-15(11-18(14)28-2)30-17-8-9-23-16-6-7-20(29-3)26-21(16)17/h4-9,11-12H,10H2,1-3H3,(H,24,25,27).
What are the key properties of 2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 436.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 87862439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).