1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C26H33N7O6S — CID 142435030

IUPAC1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOCCN(C)c1nsc(-n2cc(C(=O)O)c(=O)c3c(C)cc(N4CC(C(=O)NCC5CCCCO5)C4)nc32)n1
InChIInChI=1S/C26H33N7O6S/c1-15-10-19(32-12-16(13-32)23(35)27-11-17-6-4-5-8-39-17)28-22-20(15)21(34)18(24(36)37)14-33(22)26-29-25(30-40-26)31(2)7-9-38-3/h10,14,16-17H,4-9,11-13H2,1-3H3,(H,27,35)(H,36,37)
InChIKeySEXGCJCUUQCDPU-UHFFFAOYSA-N
MW571.66 g/mol
LogP1.45
Rot. Bonds10

About 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435030) has the molecular formula C26H33N7O6S and a molecular weight of 571.66 g/mol. Its IUPAC name is 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID142435030
Molecular FormulaC26H33N7O6S
Molecular Weight571.66 g/mol
Exact Mass571.22
IUPAC Name1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOCCN(C)c1nsc(-n2cc(C(=O)O)c(=O)c3c(C)cc(N4CC(C(=O)NCC5CCCCO5)C4)nc32)n1
InChIInChI=1S/C26H33N7O6S/c1-15-10-19(32-12-16(13-32)23(35)27-11-17-6-4-5-8-39-17)28-22-20(15)21(34)18(24(36)37)14-33(22)26-29-25(30-40-26)31(2)7-9-38-3/h10,14,16-17H,4-9,11-13H2,1-3H3,(H,27,35)(H,36,37)
InChIKeySEXGCJCUUQCDPU-UHFFFAOYSA-N
XLogP1.45
TPSA152.01 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.66
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

methyl 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 146345554
ethyl 1-[3-(2-methoxyethoxymethyl)-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 142434581
1-(5-fluoro-1,3-thiazol-2-yl)-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 142434648
6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434663
7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-5-methyl-1-[3-(6-methyl-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 142435211
6-fluoro-7-[3-(oxepan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434988
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-7-[3-[(5-methoxy-1-methylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 142435614
7-[3-(cyclopropanecarbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435603
N-(cyclohexylmethyl)-1-[6-(1-hydroxyethenyl)-4-methyl-5-oxo-8-(1,3-thiazol-2-yl)-1,8-naphthyridin-2-yl]azetidine-3-carboxamide
CID 146344857
7-[3-(2-cyclohexylacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 161388635
7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435189
7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434989

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 142435030) is 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is COCCN(C)c1nsc(-n2cc(C(=O)O)c(=O)c3c(C)cc(N4CC(C(=O)NCC5CCCCO5)C4)nc32)n1.
What is the InChIKey of 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is SEXGCJCUUQCDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O6S/c1-15-10-19(32-12-16(13-32)23(35)27-11-17-6-4-5-8-39-17)28-22-20(15)21(34)18(24(36)37)14-33(22)26-29-25(30-40-26)31(2)7-9-38-3/h10,14,16-17H,4-9,11-13H2,1-3H3,(H,27,35)(H,36,37).
What are the key properties of 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 571.66 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methoxyethyl(methyl)amino]-1,2,4-thiadiazol-5-yl]-5-methyl-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).