2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine

C14H13ClF3N3S — CID 174348474

IUPAC2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/c2cc(C(F)(F)F)sc2Cl)c1
InChIInChI=1S/C14H13ClF3N3S/c1-2-8-4-3-5-9(6-8)20-13(19)21-10-7-11(14(16,17)18)22-12(10)15/h3-7H,2H2,1H3,(H3,19,20,21)
InChIKeyULLFWQJELKCROM-UHFFFAOYSA-N
MW347.79 g/mol
LogP5.04
Rot. Bonds3

About 2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine

2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine (PubChem CID 174348474) has the molecular formula C14H13ClF3N3S and a molecular weight of 347.79 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine
PubChem CID174348474
Molecular FormulaC14H13ClF3N3S
Molecular Weight347.79 g/mol
Exact Mass347.05
IUPAC Name2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine
SMILESCCc1cccc(N/C(N)=N/c2cc(C(F)(F)F)sc2Cl)c1
InChIInChI=1S/C14H13ClF3N3S/c1-2-8-4-3-5-9(6-8)20-13(19)21-10-7-11(14(16,17)18)22-12(10)15/h3-7H,2H2,1H3,(H3,19,20,21)
InChIKeyULLFWQJELKCROM-UHFFFAOYSA-N
XLogP5.04
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.79
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)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-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-[3-(trifluoromethyl)phenyl]guanidine
CID 174364241
2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-methylsulfanylphenyl)guanidine
CID 174349130
1-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]guanidine
CID 18751640
1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine
CID 139704563
2-(2-chloro-3,5-diethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45262109
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine
CID 10587917
2-(2-ethylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45265059
1-(3-ethylphenyl)-2-[3-(trifluoromethylsulfanyl)phenyl]guanidine
CID 54391573
1-(3-ethylphenyl)-2-(7-fluoronaphthalen-1-yl)guanidine
CID 18751798
2-(2-bromo-5-ethylphenyl)-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 18751574
2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79796687
1-(3-ethylphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069217

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine (CID 174348474) is 2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine is CCc1cccc(N/C(N)=N/c2cc(C(F)(F)F)sc2Cl)c1.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine?
The InChIKey is ULLFWQJELKCROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3S/c1-2-8-4-3-5-9(6-8)20-13(19)21-10-7-11(14(16,17)18)22-12(10)15/h3-7H,2H2,1H3,(H3,19,20,21).
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine?
2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine has a molecular weight of 347.79 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)thiophen-3-yl]-1-(3-ethylphenyl)guanidine is sourced from PubChem (CID 174348474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).