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

C23H25FN4OS — CID 1438331

IUPACN-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c1C
InChIInChI=1S/C23H25FN4OS/c1-16-4-3-5-20(17(16)2)25-22(29)14-27-10-12-28(13-11-27)23-26-21(15-30-23)18-6-8-19(24)9-7-18/h3-9,15H,10-14H2,1-2H3,(H,25,29)
InChIKeyGAUKAFPOGSVMIM-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.33
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide (PubChem CID 1438331) has the molecular formula C23H25FN4OS and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
PubChem CID1438331
Molecular FormulaC23H25FN4OS
Molecular Weight424.55 g/mol
Exact Mass424.17
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c1C
InChIInChI=1S/C23H25FN4OS/c1-16-4-3-5-20(17(16)2)25-22(29)14-27-10-12-28(13-11-27)23-26-21(15-30-23)18-6-8-19(24)9-7-18/h3-9,15H,10-14H2,1-2H3,(H,25,29)
InChIKeyGAUKAFPOGSVMIM-UHFFFAOYSA-N
XLogP4.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9435201
N-(4-ethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438337
N-(1,3-benzodioxol-5-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 647105
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1438361
2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 127417888
2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1447304
N-(2-fluorophenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1438372
N-(2,3-dimethylphenyl)-2-[4-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
CID 26810920
2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide
CID 1447479
N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 18575552
(2S)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435301
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide (CID 1438331) is N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The InChIKey is GAUKAFPOGSVMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4OS/c1-16-4-3-5-20(17(16)2)25-22(29)14-27-10-12-28(13-11-27)23-26-21(15-30-23)18-6-8-19(24)9-7-18/h3-9,15H,10-14H2,1-2H3,(H,25,29).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 4.33, 5 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-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 1438331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).