ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate

C23H27FN4O5S — CID 126592438

IUPACethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc(C)cc2F)n(C)c(=O)c2sc(N(C)C(=O)OC(C)(C)C)nc12
InChIInChI=1S/C23H27FN4O5S/c1-8-32-20(30)15-16-17(34-21(26-16)28(7)22(31)33-23(3,4)5)19(29)27(6)18(15)25-14-10-9-12(2)11-13(14)24/h9-11,25H,8H2,1-7H3
InChIKeySDJMRQYTFZYFGF-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.73
Rot. Bonds5

About ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate

ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate (PubChem CID 126592438) has the molecular formula C23H27FN4O5S and a molecular weight of 490.56 g/mol. Its IUPAC name is ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate
PubChem CID126592438
Molecular FormulaC23H27FN4O5S
Molecular Weight490.56 g/mol
Exact Mass490.17
IUPAC Nameethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc(C)cc2F)n(C)c(=O)c2sc(N(C)C(=O)OC(C)(C)C)nc12
InChIInChI=1S/C23H27FN4O5S/c1-8-32-20(30)15-16-17(34-21(26-16)28(7)22(31)33-23(3,4)5)19(29)27(6)18(15)25-14-10-9-12(2)11-13(14)24/h9-11,25H,8H2,1-7H3
InChIKeySDJMRQYTFZYFGF-UHFFFAOYSA-N
XLogP4.73
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate with MolForge

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Related Compounds

6-(2-fluoro-4-methylanilino)-2,5-dimethyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
CID 126592205
ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate
CID 143666971
6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
CID 67512258
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
ethyl 4-(2-fluoroanilino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate
CID 25109868
3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide
CID 123593181
tert-butyl 2-(2-fluoro-4-methylanilino)-6-methyl-7H-thieno[2,3-b]azepine-3-carboxylate
CID 170132108
tert-butyl N-[4-(2-fluoro-4-methylanilino)-4-oxobutyl]-N-methylcarbamate
CID 47082010
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate
CID 143635942
ethyl 7-chloro-3-(2-fluoro-4-methylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686841
6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123636689

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate?
The IUPAC name of ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate (CID 126592438) is ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate?
The canonical SMILES for ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate is CCOC(=O)c1c(Nc2ccc(C)cc2F)n(C)c(=O)c2sc(N(C)C(=O)OC(C)(C)C)nc12.
What is the InChIKey of ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate?
The InChIKey is SDJMRQYTFZYFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O5S/c1-8-32-20(30)15-16-17(34-21(26-16)28(7)22(31)33-23(3,4)5)19(29)27(6)18(15)25-14-10-9-12(2)11-13(14)24/h9-11,25H,8H2,1-7H3.
What are the key properties of ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate?
ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate has a molecular weight of 490.56 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-fluoro-4-methylanilino)-5-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylate is sourced from PubChem (CID 126592438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).