1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine

C19H33N5S — CID 111919773

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
SMILESCCN/C(=N\CCCc1nc(C)cs1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C19H33N5S/c1-3-20-19(21-11-6-9-18-22-15(2)14-25-18)23-16-10-12-24(13-16)17-7-4-5-8-17/h14,16-17H,3-13H2,1-2H3,(H2,20,21,23)
InChIKeyXTCAHCVAQHRLQJ-UHFFFAOYSA-N
MW363.58 g/mol
LogP2.96
Rot. Bonds7

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

1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine (PubChem CID 111919773) has the molecular formula C19H33N5S and a molecular weight of 363.58 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
PubChem CID111919773
Molecular FormulaC19H33N5S
Molecular Weight363.58 g/mol
Exact Mass363.25
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
SMILESCCN/C(=N\CCCc1nc(C)cs1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C19H33N5S/c1-3-20-19(21-11-6-9-18-22-15(2)14-25-18)23-16-10-12-24(13-16)17-7-4-5-8-17/h14,16-17H,3-13H2,1-2H3,(H2,20,21,23)
InChIKeyXTCAHCVAQHRLQJ-UHFFFAOYSA-N
XLogP2.96
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.58
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111924204
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111190941
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111925470
ethyl 4-[[N-ethyl-N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111329475
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111918812
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111920181
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111919328
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 75512627
1,3-diethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 110935338
2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide
CID 111918994
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methoxyethyl)guanidine
CID 111919981
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(4-methylphenyl)methyl]guanidine
CID 111918747

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine (CID 111919773) is 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine is CCN/C(=N\CCCc1nc(C)cs1)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
The InChIKey is XTCAHCVAQHRLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5S/c1-3-20-19(21-11-6-9-18-22-15(2)14-25-18)23-16-10-12-24(13-16)17-7-4-5-8-17/h14,16-17H,3-13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine?
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine has a molecular weight of 363.58 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine is sourced from PubChem (CID 111919773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).