2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide

C24H27FN4O2S — CID 24616243

IUPAC2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C24H27FN4O2S/c1-17-13-20(29-11-9-28(2)10-12-29)5-8-22(17)27-23(30)14-19-16-32-24(26-19)15-31-21-6-3-18(25)4-7-21/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,27,30)
InChIKeyBIPYWKATLGMAFW-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.10
Rot. Bonds7

About 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 24616243) has the molecular formula C24H27FN4O2S and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID24616243
Molecular FormulaC24H27FN4O2S
Molecular Weight454.57 g/mol
Exact Mass454.18
IUPAC Name2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C24H27FN4O2S/c1-17-13-20(29-11-9-28(2)10-12-29)5-8-22(17)27-23(30)14-19-16-32-24(26-19)15-31-21-6-3-18(25)4-7-21/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,27,30)
InChIKeyBIPYWKATLGMAFW-UHFFFAOYSA-N
XLogP4.10
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenoxy)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18082370
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 50753541
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 52827023
4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide
CID 18158983
2-(2-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 8025203
N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 25488180
ethyl 2-[[2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 30758441
2-(4-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 26070733
N-(2-acetamido-5-chlorophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 60605397
2-(4-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17484787
N-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 17494218
N-(2-fluorophenyl)-2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]acetamide
CID 110341908

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 24616243) is 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cc1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is BIPYWKATLGMAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2S/c1-17-13-20(29-11-9-28(2)10-12-29)5-8-22(17)27-23(30)14-19-16-32-24(26-19)15-31-21-6-3-18(25)4-7-21/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,27,30).
What are the key properties of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 454.57 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 24616243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).