3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine

C19H24N6S — CID 109421180

IUPAC3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1-n1ccnc1)N(C)Cc1csc(C)n1
InChIInChI=1S/C19H24N6S/c1-4-21-19(24(3)12-17-13-26-15(2)23-17)22-11-16-7-5-6-8-18(16)25-10-9-20-14-25/h5-10,13-14H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyBFUJHYYPUGYMJT-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.23
Rot. Bonds6

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

3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine (PubChem CID 109421180) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is 3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
PubChem CID109421180
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC Name3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1-n1ccnc1)N(C)Cc1csc(C)n1
InChIInChI=1S/C19H24N6S/c1-4-21-19(24(3)12-17-13-26-15(2)23-17)22-11-16-7-5-6-8-18(16)25-10-9-20-14-25/h5-10,13-14H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyBFUJHYYPUGYMJT-UHFFFAOYSA-N
XLogP3.23
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-ethyl-1-methyl-2-[(2-methylphenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109424283
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 109421235
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 109424721
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 109421379
3-ethyl-2-[(2-hydroxy-3-methoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423157
3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109421958
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine
CID 109421106
3-ethyl-1-methyl-2-[(4-methylsulfanylphenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109422670
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylguanidine
CID 109423768
2-[(1-benzylimidazol-2-yl)methyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423043
3-ethyl-1-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423121
2-[2-(2-ethoxyphenyl)ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109425269

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The IUPAC name of 3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine (CID 109421180) is 3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine.
What is the SMILES notation for 3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The canonical SMILES for 3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine is CCN/C(=N\Cc1ccccc1-n1ccnc1)N(C)Cc1csc(C)n1.
What is the InChIKey of 3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The InChIKey is BFUJHYYPUGYMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S/c1-4-21-19(24(3)12-17-13-26-15(2)23-17)22-11-16-7-5-6-8-18(16)25-10-9-20-14-25/h5-10,13-14H,4,11-12H2,1-3H3,(H,21,22).
What are the key properties of 3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine has a molecular weight of 368.51 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine is sourced from PubChem (CID 109421180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).