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

C16H20IN5S — CID 110949083

IUPAC1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(/NCc1cn2ccsc2n1)NC(C)c1ccccc1.I
InChIInChI=1S/C16H19N5S.HI/c1-12(13-6-4-3-5-7-13)19-15(17-2)18-10-14-11-21-8-9-22-16(21)20-14;/h3-9,11-12H,10H2,1-2H3,(H2,17,18,19);1H
InChIKeyCRAMISOHTUYAPD-UHFFFAOYSA-N
MW441.34 g/mol
LogP3.44
Rot. Bonds4

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

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 110949083) has the molecular formula C16H20IN5S and a molecular weight of 441.34 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID110949083
Molecular FormulaC16H20IN5S
Molecular Weight441.34 g/mol
Exact Mass441.05
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(/NCc1cn2ccsc2n1)NC(C)c1ccccc1.I
InChIInChI=1S/C16H19N5S.HI/c1-12(13-6-4-3-5-7-13)19-15(17-2)18-10-14-11-21-8-9-22-16(21)20-14;/h3-9,11-12H,10H2,1-2H3,(H2,17,18,19);1H
InChIKeyCRAMISOHTUYAPD-UHFFFAOYSA-N
XLogP3.44
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.34
LogP ≤ 53.44
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111325938
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111173442
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111551801
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111683428
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949451
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-[(1-phenylcyclobutyl)methyl]guanidine
CID 111854846
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111847776
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111584151
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111249562
1-benzyl-2-methyl-3-[(1S)-1-phenylethyl]guanidine
CID 95761097
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961456
1-hexyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine
CID 111161517

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide (CID 110949083) is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide is C/N=C(/NCc1cn2ccsc2n1)NC(C)c1ccccc1.I.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is CRAMISOHTUYAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S.HI/c1-12(13-6-4-3-5-7-13)19-15(17-2)18-10-14-11-21-8-9-22-16(21)20-14;/h3-9,11-12H,10H2,1-2H3,(H2,17,18,19);1H.
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 441.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110949083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).