1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide

C15H27IN4S — CID 111961314

IUPAC1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCc1csc(C(C)C)n1)NC1CC1C.I
InChIInChI=1S/C15H26N4S.HI/c1-5-16-15(19-13-8-11(13)4)17-7-6-12-9-20-14(18-12)10(2)3;/h9-11,13H,5-8H2,1-4H3,(H2,16,17,19);1H
InChIKeyMAZQUXAESFSXGY-UHFFFAOYSA-N
MW422.38 g/mol
LogP3.39
Rot. Bonds6

About 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide

1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide (PubChem CID 111961314) has the molecular formula C15H27IN4S and a molecular weight of 422.38 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
PubChem CID111961314
Molecular FormulaC15H27IN4S
Molecular Weight422.38 g/mol
Exact Mass422.10
IUPAC Name1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCc1csc(C(C)C)n1)NC1CC1C.I
InChIInChI=1S/C15H26N4S.HI/c1-5-16-15(19-13-8-11(13)4)17-7-6-12-9-20-14(18-12)10(2)3;/h9-11,13H,5-8H2,1-4H3,(H2,16,17,19);1H
InChIKeyMAZQUXAESFSXGY-UHFFFAOYSA-N
XLogP3.39
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]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-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111236990
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-propylcyclopropyl)guanidine
CID 111713790
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111362166
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110998741
(3R)-N-ethyl-3-hydroxy-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111550793
1-ethyl-3-(2-methylcyclopropyl)-2-(2-pyridin-3-ylethyl)guanidine
CID 111961791
1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110989379
2-[2-(5-bromothiophen-2-yl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111863262
(3R)-N-ethyl-3-hydroxy-N'-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111550794
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111339885
1-cyclopentyl-3-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 110990984
1-ethyl-2-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylcyclohexyl)guanidine
CID 111256285

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide (CID 111961314) is 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCc1csc(C(C)C)n1)NC1CC1C.I.
What is the InChIKey of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide?
The InChIKey is MAZQUXAESFSXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S.HI/c1-5-16-15(19-13-8-11(13)4)17-7-6-12-9-20-14(18-12)10(2)3;/h9-11,13H,5-8H2,1-4H3,(H2,16,17,19);1H.
What are the key properties of 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide?
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide has a molecular weight of 422.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111961314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).