1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine

C19H27FN4S — CID 111362649

IUPAC1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1nc(CC)c(C)s1)NCCc1ccccc1F
InChIInChI=1S/C19H27FN4S/c1-4-17-14(3)25-18(24-17)11-13-23-19(21-5-2)22-12-10-15-8-6-7-9-16(15)20/h6-9H,4-5,10-13H2,1-3H3,(H2,21,22,23)
InChIKeyVKKORQNGWNUZAP-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.49
Rot. Bonds8

About 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine

1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine (PubChem CID 111362649) has the molecular formula C19H27FN4S and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine
PubChem CID111362649
Molecular FormulaC19H27FN4S
Molecular Weight362.52 g/mol
Exact Mass362.19
IUPAC Name1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine
SMILESCCN/C(=N\CCc1nc(CC)c(C)s1)NCCc1ccccc1F
InChIInChI=1S/C19H27FN4S/c1-4-17-14(3)25-18(24-17)11-13-23-19(21-5-2)22-12-10-15-8-6-7-9-16(15)20/h6-9H,4-5,10-13H2,1-3H3,(H2,21,22,23)
InChIKeyVKKORQNGWNUZAP-UHFFFAOYSA-N
XLogP3.49
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.49
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'}

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Related Compounds

1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111933856
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111194200
1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110969224
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111362944
1-tert-butyl-3-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 110965609
1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111257866
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111785942
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111361973
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111362166
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111361457
2-(2-butoxyethyl)-1-ethyl-3-[2-(2-fluorophenyl)ethyl]guanidine
CID 111362219
1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111611727

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine (CID 111362649) is 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine is CCN/C(=N\CCc1nc(CC)c(C)s1)NCCc1ccccc1F.
What is the InChIKey of 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine?
The InChIKey is VKKORQNGWNUZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4S/c1-4-17-14(3)25-18(24-17)11-13-23-19(21-5-2)22-12-10-15-8-6-7-9-16(15)20/h6-9H,4-5,10-13H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine?
1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine has a molecular weight of 362.52 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]guanidine is sourced from PubChem (CID 111362649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).