1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine

C13H21N5S — CID 110965922

IUPAC1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cn2ccsc2n1)NC(C)(C)C
InChIInChI=1S/C13H21N5S/c1-5-14-11(17-13(2,3)4)15-8-10-9-18-6-7-19-12(18)16-10/h6-7,9H,5,8H2,1-4H3,(H2,14,15,17)
InChIKeyYLBNRDWEZUIXKO-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.25
Rot. Bonds3

About 1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine

1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine (PubChem CID 110965922) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
PubChem CID110965922
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cn2ccsc2n1)NC(C)(C)C
InChIInChI=1S/C13H21N5S/c1-5-14-11(17-13(2,3)4)15-8-10-9-18-6-7-19-12(18)16-10/h6-7,9H,5,8H2,1-4H3,(H2,14,15,17)
InChIKeyYLBNRDWEZUIXKO-UHFFFAOYSA-N
XLogP2.25
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
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

1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 109418342
1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 109420376
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 111229277
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 111593007
1-ethyl-3-[2-(3-fluorophenyl)-2-methylpropyl]-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 111624834
1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 111657390
1-ethyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111243953
1-ethyl-3-[3-(4-fluorophenyl)sulfanylpropyl]-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 111310990
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine
CID 111278711
1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111651099
1-ethyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111358950
4-acetyl-N-ethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazine-1-carboximidamide
CID 110963229

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine?
The IUPAC name of 1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine (CID 110965922) is 1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine.
What is the SMILES notation for 1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine?
The canonical SMILES for 1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine is CCN/C(=N\Cc1cn2ccsc2n1)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine?
The InChIKey is YLBNRDWEZUIXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-5-14-11(17-13(2,3)4)15-8-10-9-18-6-7-19-12(18)16-10/h6-7,9H,5,8H2,1-4H3,(H2,14,15,17).
What are the key properties of 1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine?
1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine has a molecular weight of 279.41 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)guanidine is sourced from PubChem (CID 110965922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).