N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide

C17H27N5OS — CID 110046575

IUPACN,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)N1CCN(c2cccs2)CC1
InChIInChI=1S/C17H27N5OS/c1-14(2)12-18-17(19-13-15(23)20(3)4)22-9-7-21(8-10-22)16-6-5-11-24-16/h5-6,11H,1,7-10,12-13H2,2-4H3,(H,18,19)
InChIKeySIJDFTJQEOMBOE-UHFFFAOYSA-N
MW349.50 g/mol
LogP1.48
Rot. Bonds5

About N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide

N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide (PubChem CID 110046575) has the molecular formula C17H27N5OS and a molecular weight of 349.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide
PubChem CID110046575
Molecular FormulaC17H27N5OS
Molecular Weight349.50 g/mol
Exact Mass349.19
IUPAC NameN,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)N1CCN(c2cccs2)CC1
InChIInChI=1S/C17H27N5OS/c1-14(2)12-18-17(19-13-15(23)20(3)4)22-9-7-21(8-10-22)16-6-5-11-24-16/h5-6,11H,1,7-10,12-13H2,2-4H3,(H,18,19)
InChIKeySIJDFTJQEOMBOE-UHFFFAOYSA-N
XLogP1.48
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961766
N,N-dimethyl-2-[[(2-thiophen-2-ylethylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110046594
N,N-dimethyl-2-[[(2-phenylethylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110046572
2-[[[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111177318
2-[[(4-benzylpiperazin-1-yl)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110960277
N,N-dimethyl-2-[[(4-pyridin-2-ylpiperazin-1-yl)-(thiophen-2-ylmethylamino)methylidene]amino]acetamide
CID 111221031
2-[[(3,5-dimethylpiperidin-1-yl)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111153157
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 111367084
N,N-dimethyl-2-[[pyrrolidin-1-yl-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111492931
2-[[(4-cyclohexylpiperazin-1-yl)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110048030
2-[[[4-(furan-2-carbonyl)piperazin-1-yl]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111168902
2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110961763

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide (CID 110046575) is N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide is C=C(C)CN/C(=N\CC(=O)N(C)C)N1CCN(c2cccs2)CC1.
What is the InChIKey of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide?
The InChIKey is SIJDFTJQEOMBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5OS/c1-14(2)12-18-17(19-13-15(23)20(3)4)22-9-7-21(8-10-22)16-6-5-11-24-16/h5-6,11H,1,7-10,12-13H2,2-4H3,(H,18,19).
What are the key properties of N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide?
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide has a molecular weight of 349.50 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-thiophen-2-ylpiperazin-1-yl)methylidene]amino]acetamide is sourced from PubChem (CID 110046575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).