2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole

C22H25ClN3OS+ — CID 8703490

IUPAC2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole
SMILESCCOc1ccccc1N1CC[NH+](Cc2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C22H24ClN3OS/c1-2-27-21-10-6-5-9-20(21)26-13-11-25(12-14-26)15-17-16-28-22(24-17)18-7-3-4-8-19(18)23/h3-10,16H,2,11-15H2,1H3/p+1
InChIKeyFWDBNUZTBSLQNX-UHFFFAOYSA-O
MW414.98 g/mol
LogP3.77
Rot. Bonds6

About 2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole

2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole (PubChem CID 8703490) has the molecular formula C22H25ClN3OS+ and a molecular weight of 414.98 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole
PubChem CID8703490
Molecular FormulaC22H25ClN3OS+
Molecular Weight414.98 g/mol
Exact Mass414.14
IUPAC Name2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole
SMILESCCOc1ccccc1N1CC[NH+](Cc2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C22H24ClN3OS/c1-2-27-21-10-6-5-9-20(21)26-13-11-25(12-14-26)15-17-16-28-22(24-17)18-7-3-4-8-19(18)23/h3-10,16H,2,11-15H2,1H3/p+1
InChIKeyFWDBNUZTBSLQNX-UHFFFAOYSA-O
XLogP3.77
TPSA29.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole 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

2-[4-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol
CID 9346522
1-[(3,5-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium
CID 6975358
N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine
CID 8687300
4-[[4-(2-ethoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809646
1-(2-ethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium
CID 6940003
1-(2-ethoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium
CID 6983091
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16597485
2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 22197700
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetohydrazide
CID 7060420
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2336265
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 31235679
(2S)-N-(2-chlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9430279

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole (CID 8703490) is 2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole is CCOc1ccccc1N1CC[NH+](Cc2csc(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole?
The InChIKey is FWDBNUZTBSLQNX-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24ClN3OS/c1-2-27-21-10-6-5-9-20(21)26-13-11-25(12-14-26)15-17-16-28-22(24-17)18-7-3-4-8-19(18)23/h3-10,16H,2,11-15H2,1H3/p+1.
What are the key properties of 2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole?
2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole has a molecular weight of 414.98 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 8703490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).