N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide

C23H20F2N4OS2 — CID 118618320

IUPACN-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(NC3CCCN(c4ccc(F)cc4)C3)nc2s1
InChIInChI=1S/C23H20F2N4OS2/c24-14-3-7-16(8-4-14)26-21(30)19-12-20-22(31-19)28-23(32-20)27-17-2-1-11-29(13-17)18-9-5-15(25)6-10-18/h3-10,12,17H,1-2,11,13H2,(H,26,30)(H,27,28)
InChIKeyBJSHJAQBBAFMGA-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.97
Rot. Bonds5

About N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide

N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618320) has the molecular formula C23H20F2N4OS2 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618320
Molecular FormulaC23H20F2N4OS2
Molecular Weight470.57 g/mol
Exact Mass470.10
IUPAC NameN-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(NC3CCCN(c4ccc(F)cc4)C3)nc2s1
InChIInChI=1S/C23H20F2N4OS2/c24-14-3-7-16(8-4-14)26-21(30)19-12-20-22(31-19)28-23(32-20)27-17-2-1-11-29(13-17)18-9-5-15(25)6-10-18/h3-10,12,17H,1-2,11,13H2,(H,26,30)(H,27,28)
InChIKeyBJSHJAQBBAFMGA-UHFFFAOYSA-N
XLogP5.97
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide 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 N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618320) is N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2sc(NC3CCCN(c4ccc(F)cc4)C3)nc2s1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is BJSHJAQBBAFMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4OS2/c24-14-3-7-16(8-4-14)26-21(30)19-12-20-22(31-19)28-23(32-20)27-17-2-1-11-29(13-17)18-9-5-15(25)6-10-18/h3-10,12,17H,1-2,11,13H2,(H,26,30)(H,27,28).
What are the key properties of N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)piperidin-3-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).