7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione

C21H18F2N4O2S — CID 54471257

IUPAC7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
SMILESNC1CCC(c2nc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3-c2ccc(F)cc2)CC1
InChIInChI=1S/C21H18F2N4O2S/c22-11-3-7-13(8-4-11)27-19-14(18(28)16-20(29)26-30-21(16)27)9-15(23)17(25-19)10-1-5-12(24)6-2-10/h3-4,7-10,12H,1-2,5-6,24H2,(H,26,29)
InChIKeyXINKJDQCWZBMNQ-UHFFFAOYSA-N
MW428.46 g/mol
LogP3.55
Rot. Bonds2

About 7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione

7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione (PubChem CID 54471257) has the molecular formula C21H18F2N4O2S and a molecular weight of 428.46 g/mol. Its IUPAC name is 7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione.

Molecular Properties

Compound Name7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
PubChem CID54471257
Molecular FormulaC21H18F2N4O2S
Molecular Weight428.46 g/mol
Exact Mass428.11
IUPAC Name7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
SMILESNC1CCC(c2nc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3-c2ccc(F)cc2)CC1
InChIInChI=1S/C21H18F2N4O2S/c22-11-3-7-13(8-4-11)27-19-14(18(28)16-20(29)26-30-21(16)27)9-15(23)17(25-19)10-1-5-12(24)6-2-10/h3-4,7-10,12H,1-2,5-6,24H2,(H,26,29)
InChIKeyXINKJDQCWZBMNQ-UHFFFAOYSA-N
XLogP3.55
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The IUPAC name of 7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione (CID 54471257) is 7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione.
What is the SMILES notation for 7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The canonical SMILES for 7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione is NC1CCC(c2nc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3-c2ccc(F)cc2)CC1.
What is the InChIKey of 7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The InChIKey is XINKJDQCWZBMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2S/c22-11-3-7-13(8-4-11)27-19-14(18(28)16-20(29)26-30-21(16)27)9-15(23)17(25-19)10-1-5-12(24)6-2-10/h3-4,7-10,12H,1-2,5-6,24H2,(H,26,29).
What are the key properties of 7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione has a molecular weight of 428.46 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione is sourced from PubChem (CID 54471257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).