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

C20H27N5S — CID 111818826

IUPACN'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCC(C)c1ccc(C2CC2/N=C(\N)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C20H27N5S/c1-14(2)15-3-5-16(6-4-15)17-13-18(17)23-19(21)24-8-10-25(11-9-24)20-22-7-12-26-20/h3-7,12,14,17-18H,8-11,13H2,1-2H3,(H2,21,23)
InChIKeyJLTWWBZLIAIZGA-UHFFFAOYSA-N
MW369.54 g/mol
LogP3.26
Rot. Bonds4

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

N'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (PubChem CID 111818826) has the molecular formula C20H27N5S and a molecular weight of 369.54 g/mol. Its IUPAC name is N'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
PubChem CID111818826
Molecular FormulaC20H27N5S
Molecular Weight369.54 g/mol
Exact Mass369.20
IUPAC NameN'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCC(C)c1ccc(C2CC2/N=C(\N)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C20H27N5S/c1-14(2)15-3-5-16(6-4-15)17-13-18(17)23-19(21)24-8-10-25(11-9-24)20-22-7-12-26-20/h3-7,12,14,17-18H,8-11,13H2,1-2H3,(H2,21,23)
InChIKeyJLTWWBZLIAIZGA-UHFFFAOYSA-N
XLogP3.26
TPSA57.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 53.26
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 N'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)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

N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111813196
N'-[2-methyl-2-(4-methylphenyl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111101303
N'-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111085992
N'-(4-methyl-2-morpholin-4-ylpentyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111041544
N'-[2-(4-fluorophenyl)-2-methylpropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111101386
N'-[2-(4-methylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111090444
N'-(3-propan-2-yloxypropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111026160
N'-[2-(2-propan-2-ylphenoxy)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111811249
N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023210
N'-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111026007
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95274950

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (CID 111818826) is N'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is CC(C)c1ccc(C2CC2/N=C(\N)N2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of N'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The InChIKey is JLTWWBZLIAIZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5S/c1-14(2)15-3-5-16(6-4-15)17-13-18(17)23-19(21)24-8-10-25(11-9-24)20-22-7-12-26-20/h3-7,12,14,17-18H,8-11,13H2,1-2H3,(H2,21,23).
What are the key properties of N'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
N'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide has a molecular weight of 369.54 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-propan-2-ylphenyl)cyclopropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 111818826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).