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

C19H23FN6S — CID 111148651

IUPACN-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1cn2ccsc2n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H23FN6S/c1-2-21-18(22-13-15-14-26-11-12-27-19(26)23-15)25-9-7-24(8-10-25)17-6-4-3-5-16(17)20/h3-6,11-12,14H,2,7-10,13H2,1H3,(H,21,22)
InChIKeyASXDEKYDDLZQSC-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.82
Rot. Bonds4

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

N-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide (PubChem CID 111148651) has the molecular formula C19H23FN6S and a molecular weight of 386.50 g/mol. Its IUPAC name is N-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
PubChem CID111148651
Molecular FormulaC19H23FN6S
Molecular Weight386.50 g/mol
Exact Mass386.17
IUPAC NameN-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1cn2ccsc2n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H23FN6S/c1-2-21-18(22-13-15-14-26-11-12-27-19(26)23-15)25-9-7-24(8-10-25)17-6-4-3-5-16(17)20/h3-6,11-12,14H,2,7-10,13H2,1H3,(H,21,22)
InChIKeyASXDEKYDDLZQSC-UHFFFAOYSA-N
XLogP2.82
TPSA48.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.82
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

N-ethyl-4-(4-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111165364
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
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'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
CID 111167351
N-ethyl-4-(2-fluorophenyl)-N'-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111149241
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
4-(2-hydroxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111185443
N-ethyl-4-(2-fluorophenyl)-N'-[(4-hydroxyphenyl)methyl]piperazine-1-carboximidamide
CID 111148363
N-ethyl-4-(2-fluorophenyl)-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboximidamide
CID 111148403
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961456

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide (CID 111148651) is N-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide is CCN/C(=N\Cc1cn2ccsc2n1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide?
The InChIKey is ASXDEKYDDLZQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6S/c1-2-21-18(22-13-15-14-26-11-12-27-19(26)23-15)25-9-7-24(8-10-25)17-6-4-3-5-16(17)20/h3-6,11-12,14H,2,7-10,13H2,1H3,(H,21,22).
What are the key properties of N-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide?
N-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide has a molecular weight of 386.50 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-fluorophenyl)-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111148651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).