N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

C18H26N6OS2 — CID 111027061

IUPACN'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESN/C(=N\CC(c1cccs1)N1CCOCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H26N6OS2/c19-17(23-4-6-24(7-5-23)18-20-3-13-27-18)21-14-15(16-2-1-12-26-16)22-8-10-25-11-9-22/h1-3,12-13,15H,4-11,14H2,(H2,19,21)
InChIKeySHTBBYDPBJOIAS-UHFFFAOYSA-N
MW406.58 g/mol
LogP1.71
Rot. Bonds5

About N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide

N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (PubChem CID 111027061) has the molecular formula C18H26N6OS2 and a molecular weight of 406.58 g/mol. Its IUPAC name is N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
PubChem CID111027061
Molecular FormulaC18H26N6OS2
Molecular Weight406.58 g/mol
Exact Mass406.16
IUPAC NameN'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
SMILESN/C(=N\CC(c1cccs1)N1CCOCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H26N6OS2/c19-17(23-4-6-24(7-5-23)18-20-3-13-27-18)21-14-15(16-2-1-12-26-16)22-8-10-25-11-9-22/h1-3,12-13,15H,4-11,14H2,(H2,19,21)
InChIKeySHTBBYDPBJOIAS-UHFFFAOYSA-N
XLogP1.71
TPSA70.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'-(2-morpholin-4-yl-2-phenylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111060890
N'-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111722032
N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111027825
N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 111027067
N'-(4-methyl-2-morpholin-4-ylpentyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111041544
N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111028674
N'-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboximidamide
CID 111029048
N'-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111085992
4-(4-fluorophenyl)-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide
CID 111029896
1,1-diethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111027017
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
N'-[2-(4-methylpiperazin-1-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111090444

Frequently Asked Questions

What is the IUPAC name of N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide (CID 111027061) is N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is N/C(=N\CC(c1cccs1)N1CCOCC1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
The InChIKey is SHTBBYDPBJOIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS2/c19-17(23-4-6-24(7-5-23)18-20-3-13-27-18)21-14-15(16-2-1-12-26-16)22-8-10-25-11-9-22/h1-3,12-13,15H,4-11,14H2,(H2,19,21).
What are the key properties of N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide?
N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide has a molecular weight of 406.58 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 111027061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).