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

C21H24N4O2S — CID 24665733

IUPAC2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2csc(-c3ccco3)n2)ccc1N1CCN(C)CC1
InChIInChI=1S/C21H24N4O2S/c1-15-12-16(5-6-18(15)25-9-7-24(2)8-10-25)22-20(26)13-17-14-28-21(23-17)19-4-3-11-27-19/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,22,26)
InChIKeyVMBUMRTZMAUCKL-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.64
Rot. Bonds5

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

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 24665733) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID24665733
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2csc(-c3ccco3)n2)ccc1N1CCN(C)CC1
InChIInChI=1S/C21H24N4O2S/c1-15-12-16(5-6-18(15)25-9-7-24(2)8-10-25)22-20(26)13-17-14-28-21(23-17)19-4-3-11-27-19/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,22,26)
InChIKeyVMBUMRTZMAUCKL-UHFFFAOYSA-N
XLogP3.64
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.64
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-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24664236
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 46570125
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24664084
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 46559443
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24525541
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55726196
2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 55673130
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31820737
2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24535268
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43066815
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 24665733) is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is Cc1cc(NC(=O)Cc2csc(-c3ccco3)n2)ccc1N1CCN(C)CC1.
What is the InChIKey of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is VMBUMRTZMAUCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-15-12-16(5-6-18(15)25-9-7-24(2)8-10-25)22-20(26)13-17-14-28-21(23-17)19-4-3-11-27-19/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,22,26).
What are the key properties of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 396.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 24665733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).