4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide

C19H26ClN5S — CID 111090615

IUPAC4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
SMILESCC(C)c1nc(CC/N=C(\N)N2CCN(c3ccc(Cl)cc3)CC2)cs1
InChIInChI=1S/C19H26ClN5S/c1-14(2)18-23-16(13-26-18)7-8-22-19(21)25-11-9-24(10-12-25)17-5-3-15(20)4-6-17/h3-6,13-14H,7-12H2,1-2H3,(H2,21,22)
InChIKeyORVUSYQLUZHDQA-UHFFFAOYSA-N
MW391.97 g/mol
LogP3.60
Rot. Bonds5

About 4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide

4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide (PubChem CID 111090615) has the molecular formula C19H26ClN5S and a molecular weight of 391.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
PubChem CID111090615
Molecular FormulaC19H26ClN5S
Molecular Weight391.97 g/mol
Exact Mass391.16
IUPAC Name4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
SMILESCC(C)c1nc(CC/N=C(\N)N2CCN(c3ccc(Cl)cc3)CC2)cs1
InChIInChI=1S/C19H26ClN5S/c1-14(2)18-23-16(13-26-18)7-8-22-19(21)25-11-9-24(10-12-25)17-5-3-15(20)4-6-17/h3-6,13-14H,7-12H2,1-2H3,(H2,21,22)
InChIKeyORVUSYQLUZHDQA-UHFFFAOYSA-N
XLogP3.60
TPSA57.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 53.60
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'}

Analyze 4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide 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

4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111066916
N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111030905
4-(4-chlorophenyl)-N'-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111817237
4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111025315
N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 119147787
4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119146625
4-(4-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235
3-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 111073388
4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111046626
4-(4-chlorophenyl)-N'-(3-methylsulfonylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111067213
4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide
CID 110032524

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide (CID 111090615) is 4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide is CC(C)c1nc(CC/N=C(\N)N2CCN(c3ccc(Cl)cc3)CC2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide?
The InChIKey is ORVUSYQLUZHDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5S/c1-14(2)18-23-16(13-26-18)7-8-22-19(21)25-11-9-24(10-12-25)17-5-3-15(20)4-6-17/h3-6,13-14H,7-12H2,1-2H3,(H2,21,22).
What are the key properties of 4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide?
4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide has a molecular weight of 391.97 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111090615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).