N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

C10H17N5S — CID 62360283

IUPACN'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCC/N=C(\N)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H17N5S/c1-2-12-9(11)14-4-6-15(7-5-14)10-13-3-8-16-10/h3,8H,2,4-7H2,1H3,(H2,11,12)
InChIKeyGYSYTGZKUPYXKK-UHFFFAOYSA-N
MW239.35 g/mol
LogP0.60
Rot. Bonds2

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

N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (PubChem CID 62360283) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
PubChem CID62360283
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC NameN'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESCC/N=C(\N)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H17N5S/c1-2-12-9(11)14-4-6-15(7-5-14)10-13-3-8-16-10/h3,8H,2,4-7H2,1H3,(H2,11,12)
InChIKeyGYSYTGZKUPYXKK-UHFFFAOYSA-N
XLogP0.60
TPSA57.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 50.60
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'}

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Related Compounds

N'-butyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111023210
2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032115
N'-[2-(tert-butylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803442
N'-[2-(dimethylamino)-2-methylpropyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111028763
N'-(2-methoxy-2-methylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111814741
N'-(5-methylhexyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111813196
N'-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111026007
N'-(4-methylsulfanylbutyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111816554
N'-(2-butoxyethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111075048
N'-[4-(4-methylpiperazin-1-yl)butyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111060215
N'-(2-methoxy-3,3-dimethylbutyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111757959
N'-[(4-tert-butylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111045490

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (CID 62360283) is N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is CC/N=C(\N)N1CCN(c2nccs2)CC1.
What is the InChIKey of N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The InChIKey is GYSYTGZKUPYXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-2-12-9(11)14-4-6-15(7-5-14)10-13-3-8-16-10/h3,8H,2,4-7H2,1H3,(H2,11,12).
What are the key properties of N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide has a molecular weight of 239.35 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 62360283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).