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

C15H22N6OS — CID 110963229

IUPAC4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1cn2ccsc2n1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H22N6OS/c1-3-16-14(20-6-4-19(5-7-20)12(2)22)17-10-13-11-21-8-9-23-15(21)18-13/h8-9,11H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyDIXUMNGKBWOWRC-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.03
Rot. Bonds3

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

4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide (PubChem CID 110963229) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
PubChem CID110963229
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1cn2ccsc2n1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H22N6OS/c1-3-16-14(20-6-4-19(5-7-20)12(2)22)17-10-13-11-21-8-9-23-15(21)18-13/h8-9,11H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyDIXUMNGKBWOWRC-UHFFFAOYSA-N
XLogP1.03
TPSA65.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

ethyl 4-[N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)carbamimidoyl]piperazine-1-carboxylate
CID 111163529
N-ethyl-4-(furan-2-carbonyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
CID 111167351
N-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
CID 111148651
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-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,2-diethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486609
N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263382
tert-butyl N-[1-[N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730497
N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728040
1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 110965922
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 109418342

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide (CID 110963229) is 4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide is CCN/C(=N\Cc1cn2ccsc2n1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide?
The InChIKey is DIXUMNGKBWOWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-3-16-14(20-6-4-19(5-7-20)12(2)22)17-10-13-11-21-8-9-23-15(21)18-13/h8-9,11H,3-7,10H2,1-2H3,(H,16,17).
What are the key properties of 4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide?
4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide has a molecular weight of 334.45 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 110963229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).