N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide

C25H27FN4O2S — CID 26810920

IUPACN-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)Cc3csc(-c4cccc(F)c4)n3)CC2)c1C
InChIInChI=1S/C25H27FN4O2S/c1-17-5-3-8-22(18(17)2)28-23(31)15-29-9-11-30(12-10-29)24(32)14-21-16-33-25(27-21)19-6-4-7-20(26)13-19/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,28,31)
InChIKeyHKUDEEYUFCGPEV-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.89
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide (PubChem CID 26810920) has the molecular formula C25H27FN4O2S and a molecular weight of 466.58 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
PubChem CID26810920
Molecular FormulaC25H27FN4O2S
Molecular Weight466.58 g/mol
Exact Mass466.18
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)Cc3csc(-c4cccc(F)c4)n3)CC2)c1C
InChIInChI=1S/C25H27FN4O2S/c1-17-5-3-8-22(18(17)2)28-23(31)15-29-9-11-30(12-10-29)24(32)14-21-16-33-25(27-21)19-6-4-7-20(26)13-19/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,28,31)
InChIKeyHKUDEEYUFCGPEV-UHFFFAOYSA-N
XLogP3.89
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 24515634
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
1-(4-aminopiperidin-1-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119372925
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 30837593
N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438331
2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(2,3-dimethylphenyl)acetamide
CID 110342233
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 112817620
N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 27859808
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 30474573
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide;dihydrochloride
CID 119833583
N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 78817443
N-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 27860643

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide (CID 26810920) is N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(C(=O)Cc3csc(-c4cccc(F)c4)n3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide?
The InChIKey is HKUDEEYUFCGPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2S/c1-17-5-3-8-22(18(17)2)28-23(31)15-29-9-11-30(12-10-29)24(32)14-21-16-33-25(27-21)19-6-4-7-20(26)13-19/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,28,31).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide has a molecular weight of 466.58 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 26810920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).