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

C20H22N4O2S — CID 24664236

IUPAC2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3csc(-c4ccco4)n3)cc2)CC1
InChIInChI=1S/C20H22N4O2S/c1-23-8-10-24(11-9-23)17-6-4-15(5-7-17)21-19(25)13-16-14-27-20(22-16)18-3-2-12-26-18/h2-7,12,14H,8-11,13H2,1H3,(H,21,25)
InChIKeyOAPRSMRBFNVGJA-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.34
Rot. Bonds5

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

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 24664236) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID24664236
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3csc(-c4ccco4)n3)cc2)CC1
InChIInChI=1S/C20H22N4O2S/c1-23-8-10-24(11-9-23)17-6-4-15(5-7-17)21-19(25)13-16-14-27-20(22-16)18-3-2-12-26-18/h2-7,12,14H,8-11,13H2,1H3,(H,21,25)
InChIKeyOAPRSMRBFNVGJA-UHFFFAOYSA-N
XLogP3.34
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.34
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-morpholin-4-ylphenyl)acetamide
CID 46559443
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24665733
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24664084
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38925497
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 46807153
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 51213356
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
CID 30748123
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43546783
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 43066815

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 24664236) is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccc(NC(=O)Cc3csc(-c4ccco4)n3)cc2)CC1.
What is the InChIKey of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is OAPRSMRBFNVGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-23-8-10-24(11-9-23)17-6-4-15(5-7-17)21-19(25)13-16-14-27-20(22-16)18-3-2-12-26-18/h2-7,12,14H,8-11,13H2,1H3,(H,21,25).
What are the key properties of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.34, 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-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 24664236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).