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

C23H24ClFN4OS — CID 22195400

IUPAC2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CN3CCN(Cc4ccc(F)c(Cl)c4)CC3)n2)cc1
InChIInChI=1S/C23H24ClFN4OS/c1-16-2-5-18(6-3-16)21-15-31-23(26-21)27-22(30)14-29-10-8-28(9-11-29)13-17-4-7-20(25)19(24)12-17/h2-7,12,15H,8-11,13-14H2,1H3,(H,26,27,30)
InChIKeyMSWVEGAJTCENQA-UHFFFAOYSA-N
MW458.99 g/mol
LogP4.67
Rot. Bonds6

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

2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 22195400) has the molecular formula C23H24ClFN4OS and a molecular weight of 458.99 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID22195400
Molecular FormulaC23H24ClFN4OS
Molecular Weight458.99 g/mol
Exact Mass458.13
IUPAC Name2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CN3CCN(Cc4ccc(F)c(Cl)c4)CC3)n2)cc1
InChIInChI=1S/C23H24ClFN4OS/c1-16-2-5-18(6-3-16)21-15-31-23(26-21)27-22(30)14-29-10-8-28(9-11-29)13-17-4-7-20(25)19(24)12-17/h2-7,12,15H,8-11,13-14H2,1H3,(H,26,27,30)
InChIKeyMSWVEGAJTCENQA-UHFFFAOYSA-N
XLogP4.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.99
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22198171
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22195453
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22195495
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 22195458
2-(4-benzylpiperazin-1-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22198175
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194824
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
ethyl 4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17121909
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470537
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-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 30736458
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 34737670

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 22195400) is 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)CN3CCN(Cc4ccc(F)c(Cl)c4)CC3)n2)cc1.
What is the InChIKey of 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is MSWVEGAJTCENQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4OS/c1-16-2-5-18(6-3-16)21-15-31-23(26-21)27-22(30)14-29-10-8-28(9-11-29)13-17-4-7-20(25)19(24)12-17/h2-7,12,15H,8-11,13-14H2,1H3,(H,26,27,30).
What are the key properties of 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 458.99 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22195400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).