2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide

C8H15IN4S — CID 13499390

IUPAC2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
SMILESC/N=C(\N)NCCCc1nccs1.I
InChIInChI=1S/C8H14N4S.HI/c1-10-8(9)12-4-2-3-7-11-5-6-13-7;/h5-6H,2-4H2,1H3,(H3,9,10,12);1H
InChIKeyWDMVGQJXEGORCD-UHFFFAOYSA-N
MW326.21 g/mol
LogP1.23
Rot. Bonds4

About 2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide

2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide (PubChem CID 13499390) has the molecular formula C8H15IN4S and a molecular weight of 326.21 g/mol. Its IUPAC name is 2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
PubChem CID13499390
Molecular FormulaC8H15IN4S
Molecular Weight326.21 g/mol
Exact Mass326.01
IUPAC Name2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
SMILESC/N=C(\N)NCCCc1nccs1.I
InChIInChI=1S/C8H14N4S.HI/c1-10-8(9)12-4-2-3-7-11-5-6-13-7;/h5-6H,2-4H2,1H3,(H3,9,10,12);1H
InChIKeyWDMVGQJXEGORCD-UHFFFAOYSA-N
XLogP1.23
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide (CID 13499390) is 2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide is C/N=C(\N)NCCCc1nccs1.I.
What is the InChIKey of 2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
The InChIKey is WDMVGQJXEGORCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S.HI/c1-10-8(9)12-4-2-3-7-11-5-6-13-7;/h5-6H,2-4H2,1H3,(H3,9,10,12);1H.
What are the key properties of 2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide has a molecular weight of 326.21 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 13499390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).