N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C18H26N4O2S — CID 24525463

IUPACN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCN1CCN(c2ccc(NC(=O)CN3CSCC3=O)cc2C)CC1
InChIInChI=1S/C18H26N4O2S/c1-3-20-6-8-21(9-7-20)16-5-4-15(10-14(16)2)19-17(23)11-22-13-25-12-18(22)24/h4-5,10H,3,6-9,11-13H2,1-2H3,(H,19,23)
InChIKeyJBIXGKIYTZHWMV-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.61
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 24525463) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID24525463
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCCN1CCN(c2ccc(NC(=O)CN3CSCC3=O)cc2C)CC1
InChIInChI=1S/C18H26N4O2S/c1-3-20-6-8-21(9-7-20)16-5-4-15(10-14(16)2)19-17(23)11-22-13-25-12-18(22)24/h4-5,10H,3,6-9,11-13H2,1-2H3,(H,19,23)
InChIKeyJBIXGKIYTZHWMV-UHFFFAOYSA-N
XLogP1.61
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8762067
2-(2,4-dioxopyrimidin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]acetamide
CID 46649887
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide
CID 27050656
N-(3,4-dimethoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26364730
N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9095755
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]propanamide
CID 92815262
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 26288888
2-fluoro-4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]benzoic acid
CID 103791471
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17455355
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24525541
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-(methanesulfonamido)benzamide
CID 41478998
(E)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 27050693

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 24525463) is N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CCN1CCN(c2ccc(NC(=O)CN3CSCC3=O)cc2C)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is JBIXGKIYTZHWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-3-20-6-8-21(9-7-20)16-5-4-15(10-14(16)2)19-17(23)11-22-13-25-12-18(22)24/h4-5,10H,3,6-9,11-13H2,1-2H3,(H,19,23).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 362.50 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 24525463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).