2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

C18H22FN3OS — CID 48594642

IUPAC2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H22FN3OS/c1-2-17-20-11-16(24-17)18(23)21-15-7-9-22(10-8-15)12-13-3-5-14(19)6-4-13/h3-6,11,15H,2,7-10,12H2,1H3,(H,21,23)
InChIKeyGWWAYGFSNOFXDG-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.24
Rot. Bonds5

About 2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 48594642) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID48594642
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC Name2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C18H22FN3OS/c1-2-17-20-11-16(24-17)18(23)21-15-7-9-22(10-8-15)12-13-3-5-14(19)6-4-13/h3-6,11,15H,2,7-10,12H2,1H3,(H,21,23)
InChIKeyGWWAYGFSNOFXDG-UHFFFAOYSA-N
XLogP3.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-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 2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 48594642) is 2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)s1.
What is the InChIKey of 2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is GWWAYGFSNOFXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS/c1-2-17-20-11-16(24-17)18(23)21-15-7-9-22(10-8-15)12-13-3-5-14(19)6-4-13/h3-6,11,15H,2,7-10,12H2,1H3,(H,21,23).
What are the key properties of 2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48594642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).