1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide

C17H31IN4OS — CID 111189575

IUPAC1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCc1nc(CC)c(C)s1)NC1CCC(O)CC1.I
InChIInChI=1S/C17H30N4OS.HI/c1-4-15-12(3)23-16(21-15)10-11-19-17(18-5-2)20-13-6-8-14(22)9-7-13;/h13-14,22H,4-11H2,1-3H3,(H2,18,19,20);1H
InChIKeyADHSUUSCEAWHDJ-UHFFFAOYSA-N
MW466.43 g/mol
LogP3.03
Rot. Bonds6

About 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide

1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide (PubChem CID 111189575) has the molecular formula C17H31IN4OS and a molecular weight of 466.43 g/mol. Its IUPAC name is 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
PubChem CID111189575
Molecular FormulaC17H31IN4OS
Molecular Weight466.43 g/mol
Exact Mass466.13
IUPAC Name1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCc1nc(CC)c(C)s1)NC1CCC(O)CC1.I
InChIInChI=1S/C17H30N4OS.HI/c1-4-15-12(3)23-16(21-15)10-11-19-17(18-5-2)20-13-6-8-14(22)9-7-13;/h13-14,22H,4-11H2,1-3H3,(H2,18,19,20);1H
InChIKeyADHSUUSCEAWHDJ-UHFFFAOYSA-N
XLogP3.03
TPSA69.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 53.03
H-Bond Donors ≤ 53
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-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)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-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111915652
1-tert-butyl-3-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 110965609
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 111925448
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111190941
N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955839
1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111933856
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]guanidine
CID 111190156
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111189454
1-cyclopropyl-3-ethyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111687799
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111979160
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111774241
1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110989379

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide (CID 111189575) is 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide is CCN/C(=N\CCc1nc(CC)c(C)s1)NC1CCC(O)CC1.I.
What is the InChIKey of 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
The InChIKey is ADHSUUSCEAWHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4OS.HI/c1-4-15-12(3)23-16(21-15)10-11-19-17(18-5-2)20-13-6-8-14(22)9-7-13;/h13-14,22H,4-11H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide?
1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide has a molecular weight of 466.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide is sourced from PubChem (CID 111189575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).