4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide

C17H28IN5OS — CID 119158866

IUPAC4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1sc(C)nc1C)N1CCN(C2CC2)C(=O)C1.I
InChIInChI=1S/C17H27N5OS.HI/c1-4-18-17(19-8-7-15-12(2)20-13(3)24-15)21-9-10-22(14-5-6-14)16(23)11-21;/h14H,4-11H2,1-3H3,(H,18,19);1H
InChIKeyYIEONRCUBRDJIB-UHFFFAOYSA-N
MW477.42 g/mol
LogP2.19
Rot. Bonds5

About 4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide

4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide (PubChem CID 119158866) has the molecular formula C17H28IN5OS and a molecular weight of 477.42 g/mol. Its IUPAC name is 4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide
PubChem CID119158866
Molecular FormulaC17H28IN5OS
Molecular Weight477.42 g/mol
Exact Mass477.11
IUPAC Name4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1sc(C)nc1C)N1CCN(C2CC2)C(=O)C1.I
InChIInChI=1S/C17H27N5OS.HI/c1-4-18-17(19-8-7-15-12(2)20-13(3)24-15)21-9-10-22(14-5-6-14)16(23)11-21;/h14H,4-11H2,1-3H3,(H,18,19);1H
InChIKeyYIEONRCUBRDJIB-UHFFFAOYSA-N
XLogP2.19
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 52.19
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'}

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Related Compounds

N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111758697
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119158923
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-pyridin-4-ylethyl)piperazine-1-carboximidamide
CID 119158924
4-cyclopropyl-N-ethyl-3-oxo-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119154397
4-cyclopropyl-N-ethyl-3-oxo-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119154329
4-cyclopropyl-N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119162700
N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide
CID 119157402
2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide
CID 119158926
4-cyclopropyl-N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119152889
4-cyclopropyl-N-ethyl-N'-[(2-hydroxycyclopentyl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119155547
4-cyclopropyl-N'-[[3-(dimethylamino)thiolan-3-yl]methyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 119157722
4-cyclopropyl-N-ethyl-N'-[(4-methylsulfanyloxan-4-yl)methyl]-3-oxopiperazine-1-carboximidamide
CID 119157456

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide (CID 119158866) is 4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1sc(C)nc1C)N1CCN(C2CC2)C(=O)C1.I.
What is the InChIKey of 4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide?
The InChIKey is YIEONRCUBRDJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5OS.HI/c1-4-18-17(19-8-7-15-12(2)20-13(3)24-15)21-9-10-22(14-5-6-14)16(23)11-21;/h14H,4-11H2,1-3H3,(H,18,19);1H.
What are the key properties of 4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide?
4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide has a molecular weight of 477.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-ethyl-3-oxopiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119158866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).