3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide

C15H24IN5OS — CID 109386304

IUPAC3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cn2ccsc2n1)N(C)CC1CCOC1.I
InChIInChI=1S/C15H23N5OS.HI/c1-3-16-14(19(2)9-12-4-6-21-11-12)17-8-13-10-20-5-7-22-15(20)18-13;/h5,7,10,12H,3-4,6,8-9,11H2,1-2H3,(H,16,17);1H
InChIKeyYXMIECMMHCHXHN-UHFFFAOYSA-N
MW449.36 g/mol
LogP2.45
Rot. Bonds5

About 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide

3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide (PubChem CID 109386304) has the molecular formula C15H24IN5OS and a molecular weight of 449.36 g/mol. Its IUPAC name is 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
PubChem CID109386304
Molecular FormulaC15H24IN5OS
Molecular Weight449.36 g/mol
Exact Mass449.07
IUPAC Name3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1cn2ccsc2n1)N(C)CC1CCOC1.I
InChIInChI=1S/C15H23N5OS.HI/c1-3-16-14(19(2)9-12-4-6-21-11-12)17-8-13-10-20-5-7-22-15(20)18-13;/h5,7,10,12H,3-4,6,8-9,11H2,1-2H3,(H,16,17);1H
InChIKeyYXMIECMMHCHXHN-UHFFFAOYSA-N
XLogP2.45
TPSA54.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.36
LogP ≤ 52.45
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386305
3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383509
1-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111642623
3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[(2-methoxyphenyl)methyl]-1-methylguanidine;hydroiodide
CID 111281510
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 109386231
3-ethyl-1-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109383402
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-(oxolan-3-yl)propan-2-one
CID 103986214
3-ethyl-2-(isoquinolin-1-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382737
3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
CID 109456850
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382811
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109381930
3-ethyl-2-[(3-hydroxyphenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383423

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide (CID 109386304) is 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide is CCN/C(=N\Cc1cn2ccsc2n1)N(C)CC1CCOC1.I.
What is the InChIKey of 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?
The InChIKey is YXMIECMMHCHXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS.HI/c1-3-16-14(19(2)9-12-4-6-21-11-12)17-8-13-10-20-5-7-22-15(20)18-13;/h5,7,10,12H,3-4,6,8-9,11H2,1-2H3,(H,16,17);1H.
What are the key properties of 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide?
3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide has a molecular weight of 449.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 109386304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).