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

C23H19ClFN3O2S2 — CID 118618719

IUPAC2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(Oc4ccc(Cl)cc4)CC3)nc2s1
InChIInChI=1S/C23H19ClFN3O2S2/c24-14-1-7-17(8-2-14)30-18-9-11-28(12-10-18)23-27-22-20(32-23)13-19(31-22)21(29)26-16-5-3-15(25)4-6-16/h1-8,13,18H,9-12H2,(H,26,29)
InChIKeyFGTFAXSTDRNARK-UHFFFAOYSA-N
MW488.01 g/mol
LogP6.45
Rot. Bonds5

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

2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618719) has the molecular formula C23H19ClFN3O2S2 and a molecular weight of 488.01 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618719
Molecular FormulaC23H19ClFN3O2S2
Molecular Weight488.01 g/mol
Exact Mass487.06
IUPAC Name2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(Oc4ccc(Cl)cc4)CC3)nc2s1
InChIInChI=1S/C23H19ClFN3O2S2/c24-14-1-7-17(8-2-14)30-18-9-11-28(12-10-18)23-27-22-20(32-23)13-19(31-22)21(29)26-16-5-3-15(25)4-6-16/h1-8,13,18H,9-12H2,(H,26,29)
InChIKeyFGTFAXSTDRNARK-UHFFFAOYSA-N
XLogP6.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.01
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)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

Related Compounds

CID 118618386
CID 118618386
CID 118618399
CID 118618399
CID 118618661
CID 118618661
CID 118618662
CID 118618662
CID 118618757
CID 118618757
CID 118618803
CID 118618803
CID 118618616
CID 118618616
CID 118618634
CID 118618634
CID 118618802
CID 118618802
CID 118618833
CID 118618833
CID 140783690
CID 140783690
CID 140783696
CID 140783696

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618719) is 2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2sc(N3CCC(Oc4ccc(Cl)cc4)CC3)nc2s1.
What is the InChIKey of 2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is FGTFAXSTDRNARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O2S2/c24-14-1-7-17(8-2-14)30-18-9-11-28(12-10-18)23-27-22-20(32-23)13-19(31-22)21(29)26-16-5-3-15(25)4-6-16/h1-8,13,18H,9-12H2,(H,26,29).
What are the key properties of 2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 488.01 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).