2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine

C13H16N4S — CID 103696932

IUPAC2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
SMILESCCc1cnc(C/N=C(\N)Nc2ccccc2)s1
InChIInChI=1S/C13H16N4S/c1-2-11-8-15-12(18-11)9-16-13(14)17-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H3,14,16,17)
InChIKeyYJEOWKOODKWDAU-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.63
Rot. Bonds4

About 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine

2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine (PubChem CID 103696932) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
PubChem CID103696932
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
SMILESCCc1cnc(C/N=C(\N)Nc2ccccc2)s1
InChIInChI=1S/C13H16N4S/c1-2-11-8-15-12(18-11)9-16-13(14)17-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H3,14,16,17)
InChIKeyYJEOWKOODKWDAU-UHFFFAOYSA-N
XLogP2.63
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.63
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'}

Analyze 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine 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-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine
CID 119148420
2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110925540
2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-octylguanidine
CID 111822130
2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111822072
2-[(5-chlorothiophen-2-yl)methyl]-1-phenylguanidine
CID 62406052
2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine
CID 62848306
1-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111534907
2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
CID 119147362
2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine
CID 111822089
2-[(4,5-dimethylthiophen-2-yl)methyl]-1-phenylguanidine
CID 65243538
2-benzyl-1-phenylguanidine
CID 12910062
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111822136

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine?
The IUPAC name of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine (CID 103696932) is 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine.
What is the SMILES notation for 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine?
The canonical SMILES for 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine is CCc1cnc(C/N=C(\N)Nc2ccccc2)s1.
What is the InChIKey of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine?
The InChIKey is YJEOWKOODKWDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-2-11-8-15-12(18-11)9-16-13(14)17-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H3,14,16,17).
What are the key properties of 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine?
2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine has a molecular weight of 260.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine is sourced from PubChem (CID 103696932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).