1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine

C19H35N5S — CID 111522196

IUPAC1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ncc(C)s1)NCC(C(CC)CC)N1CCCC1
InChIInChI=1S/C19H35N5S/c1-5-16(6-2)17(24-10-8-9-11-24)13-22-19(20-7-3)23-14-18-21-12-15(4)25-18/h12,16-17H,5-11,13-14H2,1-4H3,(H2,20,22,23)
InChIKeyUKBYGMLYVGEOGR-UHFFFAOYSA-N
MW365.59 g/mol
LogP3.41
Rot. Bonds9

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

1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine (PubChem CID 111522196) has the molecular formula C19H35N5S and a molecular weight of 365.59 g/mol. Its IUPAC name is 1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
PubChem CID111522196
Molecular FormulaC19H35N5S
Molecular Weight365.59 g/mol
Exact Mass365.26
IUPAC Name1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ncc(C)s1)NCC(C(CC)CC)N1CCCC1
InChIInChI=1S/C19H35N5S/c1-5-16(6-2)17(24-10-8-9-11-24)13-22-19(20-7-3)23-14-18-21-12-15(4)25-18/h12,16-17H,5-11,13-14H2,1-4H3,(H2,20,22,23)
InChIKeyUKBYGMLYVGEOGR-UHFFFAOYSA-N
XLogP3.41
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 53.41
H-Bond Donors ≤ 52
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

1-ethyl-3-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111522531
1-ethyl-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111515865
1-ethyl-3-(3-methylbutan-2-yl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111509892
1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 111522294
1-cyclopropyl-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111495609
1-cyclopropyl-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111495610
1-(3-cyclopentylpropyl)-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111523248
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111523753
1-ethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111795906
1-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111525371
1-(2-anilino-3-methylbutyl)-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111522182
1-(3,3-dimethylbutyl)-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111523786

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine (CID 111522196) is 1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine is CCN/C(=N\Cc1ncc(C)s1)NCC(C(CC)CC)N1CCCC1.
What is the InChIKey of 1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
The InChIKey is UKBYGMLYVGEOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5S/c1-5-16(6-2)17(24-10-8-9-11-24)13-22-19(20-7-3)23-14-18-21-12-15(4)25-18/h12,16-17H,5-11,13-14H2,1-4H3,(H2,20,22,23).
What are the key properties of 1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine?
1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine has a molecular weight of 365.59 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine is sourced from PubChem (CID 111522196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).