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

C22H21BrCl2N4OS — CID 22194824

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2Cl)CC1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C22H21BrCl2N4OS/c23-17-4-1-15(2-5-17)20-14-31-22(26-20)27-21(30)13-29-9-7-28(8-10-29)12-16-3-6-18(24)11-19(16)25/h1-6,11,14H,7-10,12-13H2,(H,26,27,30)
InChIKeyZKTAPKRTYJQXIA-UHFFFAOYSA-N
MW540.31 g/mol
LogP5.64
Rot. Bonds6

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

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 22194824) has the molecular formula C22H21BrCl2N4OS and a molecular weight of 540.31 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID22194824
Molecular FormulaC22H21BrCl2N4OS
Molecular Weight540.31 g/mol
Exact Mass538.00
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2Cl)CC1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C22H21BrCl2N4OS/c23-17-4-1-15(2-5-17)20-14-31-22(26-20)27-21(30)13-29-9-7-28(8-10-29)12-16-3-6-18(24)11-19(16)25/h1-6,11,14H,7-10,12-13H2,(H,26,27,30)
InChIKeyZKTAPKRTYJQXIA-UHFFFAOYSA-N
XLogP5.64
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.31
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22194453
2-(4-benzylpiperazin-1-yl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22198171
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide
CID 23765185
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22195400
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 22199039
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-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 22197298
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 22199040
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 31041636
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 3279249
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22199238

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide (CID 22194824) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccc(Cl)cc2Cl)CC1)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is ZKTAPKRTYJQXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrCl2N4OS/c23-17-4-1-15(2-5-17)20-14-31-22(26-20)27-21(30)13-29-9-7-28(8-10-29)12-16-3-6-18(24)11-19(16)25/h1-6,11,14H,7-10,12-13H2,(H,26,27,30).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 540.31 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 22194824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).