11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene

C20H25FN4OS — CID 69210021

IUPAC11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
SMILESCOCCC1CN(C2=c3nccc(F)c3=CNc3sc(C)cc32)CCN1C
InChIInChI=1S/C20H25FN4OS/c1-13-10-15-19(25-8-7-24(2)14(12-25)5-9-26-3)18-16(11-23-20(15)27-13)17(21)4-6-22-18/h4,6,10-11,14,23H,5,7-9,12H2,1-3H3
InChIKeyPWPXKSARXKNYJX-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.56
Rot. Bonds4

About 11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene

11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene (PubChem CID 69210021) has the molecular formula C20H25FN4OS and a molecular weight of 388.51 g/mol. Its IUPAC name is 11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene.

Molecular Properties

Compound Name11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
PubChem CID69210021
Molecular FormulaC20H25FN4OS
Molecular Weight388.51 g/mol
Exact Mass388.17
IUPAC Name11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene
SMILESCOCCC1CN(C2=c3nccc(F)c3=CNc3sc(C)cc32)CCN1C
InChIInChI=1S/C20H25FN4OS/c1-13-10-15-19(25-8-7-24(2)14(12-25)5-9-26-3)18-16(11-23-20(15)27-13)17(21)4-6-22-18/h4,6,10-11,14,23H,5,7-9,12H2,1-3H3
InChIKeyPWPXKSARXKNYJX-UHFFFAOYSA-N
XLogP1.56
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene 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 11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene?
The IUPAC name of 11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene (CID 69210021) is 11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene.
What is the SMILES notation for 11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene?
The canonical SMILES for 11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene is COCCC1CN(C2=c3nccc(F)c3=CNc3sc(C)cc32)CCN1C.
What is the InChIKey of 11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene?
The InChIKey is PWPXKSARXKNYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4OS/c1-13-10-15-19(25-8-7-24(2)14(12-25)5-9-26-3)18-16(11-23-20(15)27-13)17(21)4-6-22-18/h4,6,10-11,14,23H,5,7-9,12H2,1-3H3.
What are the key properties of 11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene?
11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene has a molecular weight of 388.51 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-2-[3-(2-methoxyethyl)-4-methylpiperazin-1-yl]-5-methyl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaene is sourced from PubChem (CID 69210021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).