2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C21H18N4O3S — CID 87866854

IUPAC2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1cc2c(Oc3ccc(CC(=O)Nc4ncc(C)s4)cc3)ccnc2cn1
InChIInChI=1S/C21H18N4O3S/c1-13-11-24-21(29-13)25-19(26)9-14-3-5-15(6-4-14)28-18-7-8-22-17-12-23-20(27-2)10-16(17)18/h3-8,10-12H,9H2,1-2H3,(H,24,25,26)
InChIKeyXUMBALQFKHXMNA-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.38
Rot. Bonds6

About 2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 87866854) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID87866854
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1cc2c(Oc3ccc(CC(=O)Nc4ncc(C)s4)cc3)ccnc2cn1
InChIInChI=1S/C21H18N4O3S/c1-13-11-24-21(29-13)25-19(26)9-14-3-5-15(6-4-14)28-18-7-8-22-17-12-23-20(27-2)10-16(17)18/h3-8,10-12H,9H2,1-2H3,(H,24,25,26)
InChIKeyXUMBALQFKHXMNA-UHFFFAOYSA-N
XLogP4.38
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 87862442
N-(5-ethyl-1,2-oxazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide
CID 24826071
N-(5-ethyl-1H-pyrazol-3-yl)-2-[4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide
CID 24825986
2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 11626865
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid
CID 71122818
2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 18456607
N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 22170781
methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103773
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
N-(5-ethyl-1,2-oxazol-3-yl)-2-[2-methoxy-4-[(7-methoxy-1,6-naphthyridin-4-yl)oxy]phenyl]acetamide
CID 24826072

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 87866854) is 2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is COc1cc2c(Oc3ccc(CC(=O)Nc4ncc(C)s4)cc3)ccnc2cn1.
What is the InChIKey of 2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XUMBALQFKHXMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-13-11-24-21(29-13)25-19(26)9-14-3-5-15(6-4-14)28-18-7-8-22-17-12-23-20(27-2)10-16(17)18/h3-8,10-12H,9H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 406.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 87866854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).