3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine

C18H33N5S — CID 109425336

IUPAC3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
SMILESCCN/C(=N\CC1CCCN(C(C)C)C1)N(C)Cc1csc(C)n1
InChIInChI=1S/C18H33N5S/c1-6-19-18(22(5)12-17-13-24-15(4)21-17)20-10-16-8-7-9-23(11-16)14(2)3/h13-14,16H,6-12H2,1-5H3,(H,19,20)
InChIKeyJAJVKSDJWFWLSD-UHFFFAOYSA-N
MW351.56 g/mol
LogP2.97
Rot. Bonds6

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

3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine (PubChem CID 109425336) has the molecular formula C18H33N5S and a molecular weight of 351.56 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
PubChem CID109425336
Molecular FormulaC18H33N5S
Molecular Weight351.56 g/mol
Exact Mass351.25
IUPAC Name3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
SMILESCCN/C(=N\CC1CCCN(C(C)C)C1)N(C)Cc1csc(C)n1
InChIInChI=1S/C18H33N5S/c1-6-19-18(22(5)12-17-13-24-15(4)21-17)20-10-16-8-7-9-23(11-16)14(2)3/h13-14,16H,6-12H2,1-5H3,(H,19,20)
InChIKeyJAJVKSDJWFWLSD-UHFFFAOYSA-N
XLogP2.97
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.56
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(cyclopropylmethyl)-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109421889
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 109423181
2-[2-(diethylamino)propyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109425361
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylguanidine
CID 109423768
3-ethyl-1-methyl-2-(2-methyl-3-morpholin-4-ylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109424696
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 109423198
3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423755
2-cyclopentyl-N-[2-[[ethylamino-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 109421271
3-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109422508
3-ethyl-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109422567
3-ethyl-1-methyl-2-[2-(3-methylbutoxy)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109424241
1,2-dimethyl-3-[[1-(2-methylpropyl)piperidin-3-yl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109420714

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine?
The IUPAC name of 3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine (CID 109425336) is 3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine.
What is the SMILES notation for 3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine?
The canonical SMILES for 3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine is CCN/C(=N\CC1CCCN(C(C)C)C1)N(C)Cc1csc(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine?
The InChIKey is JAJVKSDJWFWLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5S/c1-6-19-18(22(5)12-17-13-24-15(4)21-17)20-10-16-8-7-9-23(11-16)14(2)3/h13-14,16H,6-12H2,1-5H3,(H,19,20).
What are the key properties of 3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine?
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine has a molecular weight of 351.56 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine is sourced from PubChem (CID 109425336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).