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

C14H25IN4S — CID 111807297

IUPAC1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide
SMILESCc1nc(C)c(CC/N=C(\N)NC2CCCCC2)s1.I
InChIInChI=1S/C14H24N4S.HI/c1-10-13(19-11(2)17-10)8-9-16-14(15)18-12-6-4-3-5-7-12;/h12H,3-9H2,1-2H3,(H3,15,16,18);1H
InChIKeyOSWZEPJFWBEBIH-UHFFFAOYSA-N
MW408.35 g/mol
LogP3.16
Rot. Bonds4

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

1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide (PubChem CID 111807297) has the molecular formula C14H25IN4S and a molecular weight of 408.35 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide
PubChem CID111807297
Molecular FormulaC14H25IN4S
Molecular Weight408.35 g/mol
Exact Mass408.08
IUPAC Name1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide
SMILESCc1nc(C)c(CC/N=C(\N)NC2CCCCC2)s1.I
InChIInChI=1S/C14H24N4S.HI/c1-10-13(19-11(2)17-10)8-9-16-14(15)18-12-6-4-3-5-7-12;/h12H,3-9H2,1-2H3,(H3,15,16,18);1H
InChIKeyOSWZEPJFWBEBIH-UHFFFAOYSA-N
XLogP3.16
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 53.16
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'}

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Related Compounds

1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111817540
1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068795
1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine
CID 119147204
1-cyclopentyl-2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]guanidine
CID 119117780
N'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 111109775
1-(1-benzylpiperidin-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 119148060
1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine
CID 111975463
1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 71795572
1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine
CID 62368222
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 78989923
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide (CID 111807297) is 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide is Cc1nc(C)c(CC/N=C(\N)NC2CCCCC2)s1.I.
What is the InChIKey of 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide?
The InChIKey is OSWZEPJFWBEBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S.HI/c1-10-13(19-11(2)17-10)8-9-16-14(15)18-12-6-4-3-5-7-12;/h12H,3-9H2,1-2H3,(H3,15,16,18);1H.
What are the key properties of 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide?
1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide has a molecular weight of 408.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111807297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).