2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide

C22H20Cl3FN4OS — CID 22194453

IUPAC2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C22H20Cl3FN4OS/c23-15-2-4-17(19(25)9-15)20-13-32-22(27-20)28-21(31)12-30-7-5-29(6-8-30)11-14-1-3-16(26)10-18(14)24/h1-4,9-10,13H,5-8,11-12H2,(H,27,28,31)
InChIKeyRJJRMURUKGXYQR-UHFFFAOYSA-N
MW513.85 g/mol
LogP5.67
Rot. Bonds6

About 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide

2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 22194453) has the molecular formula C22H20Cl3FN4OS and a molecular weight of 513.85 g/mol. Its IUPAC name is 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID22194453
Molecular FormulaC22H20Cl3FN4OS
Molecular Weight513.85 g/mol
Exact Mass512.04
IUPAC Name2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C22H20Cl3FN4OS/c23-15-2-4-17(19(25)9-15)20-13-32-22(27-20)28-21(31)12-30-7-5-29(6-8-30)11-14-1-3-16(26)10-18(14)24/h1-4,9-10,13H,5-8,11-12H2,(H,27,28,31)
InChIKeyRJJRMURUKGXYQR-UHFFFAOYSA-N
XLogP5.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.85
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194824
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22198434
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22199717
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 22199040
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22199238
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 24594716
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199136
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 22197983
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22195400
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43042831
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22194491

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 22194453) is 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RJJRMURUKGXYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3FN4OS/c23-15-2-4-17(19(25)9-15)20-13-32-22(27-20)28-21(31)12-30-7-5-29(6-8-30)11-14-1-3-16(26)10-18(14)24/h1-4,9-10,13H,5-8,11-12H2,(H,27,28,31).
What are the key properties of 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 513.85 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22194453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).