4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide

C23H23FN4O2S — CID 86969118

IUPAC4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)Cc3csc(Cc4ccc(F)cc4)n3)CC2)cc1
InChIInChI=1S/C23H23FN4O2S/c24-18-5-1-16(2-6-18)13-21-26-19(15-31-21)14-22(29)28-11-9-27(10-12-28)20-7-3-17(4-8-20)23(25)30/h1-8,15H,9-14H2,(H2,25,30)
InChIKeyXODCZCYYWNNHPO-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.86
Rot. Bonds6

About 4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide

4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide (PubChem CID 86969118) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide
PubChem CID86969118
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC Name4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)Cc3csc(Cc4ccc(F)cc4)n3)CC2)cc1
InChIInChI=1S/C23H23FN4O2S/c24-18-5-1-16(2-6-18)13-21-26-19(15-31-21)14-22(29)28-11-9-27(10-12-28)20-7-3-17(4-8-20)23(25)30/h1-8,15H,9-14H2,(H2,25,30)
InChIKeyXODCZCYYWNNHPO-UHFFFAOYSA-N
XLogP2.86
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide 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

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386604
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 50753541
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone
CID 119623411
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 16900054
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 16557193
1-(4-fluorophenyl)-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 41159439
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119540284
N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41160012
4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide
CID 86969128
1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
CID 41159447
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
CID 30940520
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 154859701

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide (CID 86969118) is 4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(C(=O)Cc3csc(Cc4ccc(F)cc4)n3)CC2)cc1.
What is the InChIKey of 4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide?
The InChIKey is XODCZCYYWNNHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c24-18-5-1-16(2-6-18)13-21-26-19(15-31-21)14-22(29)28-11-9-27(10-12-28)20-7-3-17(4-8-20)23(25)30/h1-8,15H,9-14H2,(H2,25,30).
What are the key properties of 4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide?
4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide has a molecular weight of 438.53 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 86969118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).