2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine

C10H16N6S — CID 23337134

IUPAC2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine
SMILESCN(CCCNCc1nccs1)/C(N)=N/C#N
InChIInChI=1S/C10H16N6S/c1-16(10(12)15-8-11)5-2-3-13-7-9-14-4-6-17-9/h4,6,13H,2-3,5,7H2,1H3,(H2,12,15)
InChIKeyZOVZBKHMSJNLJQ-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.35
Rot. Bonds6

About 2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine

2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine (PubChem CID 23337134) has the molecular formula C10H16N6S and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine.

Molecular Properties

Compound Name2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine
PubChem CID23337134
Molecular FormulaC10H16N6S
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC Name2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine
SMILESCN(CCCNCc1nccs1)/C(N)=N/C#N
InChIInChI=1S/C10H16N6S/c1-16(10(12)15-8-11)5-2-3-13-7-9-14-4-6-17-9/h4,6,13H,2-3,5,7H2,1H3,(H2,12,15)
InChIKeyZOVZBKHMSJNLJQ-UHFFFAOYSA-N
XLogP0.35
TPSA90.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine 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

2-Methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 13499390
N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine
CID 125526772
2-Methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
CID 13499391
1-(4-Aminobutan-2-yl)-2-(2,2,2-trifluoroethyl)guanidine;1,3-thiazole
CID 70575970
2-Methyl-1-[3-(1,3-thiazol-2-yl)propyl]guanidine
CID 13499389
N'-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 120033342
N'-methyl-N-(1,3-thiazol-2-ylmethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 120033343
N-Cyano-N''-methyl-N'-(2-{[(1,3-thiazol-2-yl)methyl]sulfanyl}ethyl)guanidine
CID 12923385
1-(1,3-Thiazol-2-yl)-1,4-diazepane
CID 16783263
N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 18727065
N',N'-dimethyl-N-[2-methylsulfanyl-2-(1,3-thiazol-2-yl)ethyl]methanediamine
CID 19108559
2-Cyano-1-methyl-1-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
CID 19373026

Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine?
The IUPAC name of 2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine (CID 23337134) is 2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine.
What is the SMILES notation for 2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine?
The canonical SMILES for 2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine is CN(CCCNCc1nccs1)/C(N)=N/C#N.
What is the InChIKey of 2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine?
The InChIKey is ZOVZBKHMSJNLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S/c1-16(10(12)15-8-11)5-2-3-13-7-9-14-4-6-17-9/h4,6,13H,2-3,5,7H2,1H3,(H2,12,15).
What are the key properties of 2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine?
2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine has a molecular weight of 252.35 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-methyl-1-[3-(1,3-thiazol-2-ylmethylamino)propyl]guanidine is sourced from PubChem (CID 23337134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).