2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine

C8H14N4S2 — CID 13499391

IUPAC2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
SMILESC/N=C(\N)NCCSCc1nccs1
InChIInChI=1S/C8H14N4S2/c1-10-8(9)12-2-4-13-6-7-11-3-5-14-7/h3,5H,2,4,6H2,1H3,(H3,9,10,12)
InChIKeyDEZOJKYBULHEES-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.91
Rot. Bonds5

About 2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine

2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine (PubChem CID 13499391) has the molecular formula C8H14N4S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
PubChem CID13499391
Molecular FormulaC8H14N4S2
Molecular Weight230.36 g/mol
Exact Mass230.07
IUPAC Name2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
SMILESC/N=C(\N)NCCSCc1nccs1
InChIInChI=1S/C8H14N4S2/c1-10-8(9)12-2-4-13-6-7-11-3-5-14-7/h3,5H,2,4,6H2,1H3,(H3,9,10,12)
InChIKeyDEZOJKYBULHEES-UHFFFAOYSA-N
XLogP0.91
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine?
The IUPAC name of 2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine (CID 13499391) is 2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine?
The canonical SMILES for 2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine is C/N=C(\N)NCCSCc1nccs1.
What is the InChIKey of 2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine?
The InChIKey is DEZOJKYBULHEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S2/c1-10-8(9)12-2-4-13-6-7-11-3-5-14-7/h3,5H,2,4,6H2,1H3,(H3,9,10,12).
What are the key properties of 2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine?
2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine has a molecular weight of 230.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine is sourced from PubChem (CID 13499391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).