4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide

C19H26IN5OS — CID 110964038

IUPAC4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1nc(-c2ccccc2)cs1)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C19H25N5OS.HI/c1-3-20-19(24-11-9-23(10-12-24)15(2)25)21-13-18-22-17(14-26-18)16-7-5-4-6-8-16;/h4-8,14H,3,9-13H2,1-2H3,(H,20,21);1H
InChIKeyXCICGTUDYJNZPF-UHFFFAOYSA-N
MW499.42 g/mol
LogP3.06
Rot. Bonds4

About 4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide

4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 110964038) has the molecular formula C19H26IN5OS and a molecular weight of 499.42 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID110964038
Molecular FormulaC19H26IN5OS
Molecular Weight499.42 g/mol
Exact Mass499.09
IUPAC Name4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1nc(-c2ccccc2)cs1)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C19H25N5OS.HI/c1-3-20-19(24-11-9-23(10-12-24)15(2)25)21-13-18-22-17(14-26-18)16-7-5-4-6-8-16;/h4-8,14H,3,9-13H2,1-2H3,(H,20,21);1H
InChIKeyXCICGTUDYJNZPF-UHFFFAOYSA-N
XLogP3.06
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.42
LogP ≤ 53.06
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': 'iodine', 'substructure': 'N/A'}

Analyze 4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide 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-ethyl-4-(oxolane-2-carbonyl)-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide
CID 111301067
(3R)-N-ethyl-3-hydroxy-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111549906
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111746557
4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
CID 110962963
1-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3-prop-2-enylguanidine
CID 110983182
4-acetyl-N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 110963059
1-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111020000
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 109416855
4-acetyl-N-ethyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 110963854
1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111022181
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111261165
4-acetyl-N-ethyl-N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962434

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide (CID 110964038) is 4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1nc(-c2ccccc2)cs1)N1CCN(C(C)=O)CC1.I.
What is the InChIKey of 4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is XCICGTUDYJNZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS.HI/c1-3-20-19(24-11-9-23(10-12-24)15(2)25)21-13-18-22-17(14-26-18)16-7-5-4-6-8-16;/h4-8,14H,3,9-13H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 499.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110964038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).