N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide

C18H22N6O2S — CID 111167351

IUPACN-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1cn2ccsc2n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H22N6O2S/c1-2-19-17(20-12-14-13-24-9-11-27-18(24)21-14)23-7-5-22(6-8-23)16(25)15-4-3-10-26-15/h3-4,9-11,13H,2,5-8,12H2,1H3,(H,19,20)
InChIKeyFEKFWZIKRGUBHQ-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.91
Rot. Bonds4

About N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide

N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide (PubChem CID 111167351) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
PubChem CID111167351
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC NameN-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1cn2ccsc2n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H22N6O2S/c1-2-19-17(20-12-14-13-24-9-11-27-18(24)21-14)23-7-5-22(6-8-23)16(25)15-4-3-10-26-15/h3-4,9-11,13H,2,5-8,12H2,1H3,(H,19,20)
InChIKeyFEKFWZIKRGUBHQ-UHFFFAOYSA-N
XLogP1.91
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
CID 110963229
ethyl 4-[N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)carbamimidoyl]piperazine-1-carboxylate
CID 111163529
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 38910901
N-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
CID 111148651
N-ethyl-4-(4-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111165364
N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947068
N-ethyl-4-(furan-2-carbonyl)-N'-[(4-hydroxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166610
N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109379139
N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263382
N-ethyl-4-(furan-2-carbonyl)-N'-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 119130504
N-ethyl-4-(furan-2-carbonyl)-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 111168751
N-ethyl-N'-[2-(ethylsulfonylamino)ethyl]-4-(furan-2-carbonyl)piperazine-1-carboximidamide
CID 111166415

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide (CID 111167351) is N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide is CCN/C(=N\Cc1cn2ccsc2n1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide?
The InChIKey is FEKFWZIKRGUBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-2-19-17(20-12-14-13-24-9-11-27-18(24)21-14)23-7-5-22(6-8-23)16(25)15-4-3-10-26-15/h3-4,9-11,13H,2,5-8,12H2,1H3,(H,19,20).
What are the key properties of N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide?
N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide has a molecular weight of 386.48 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111167351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).