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

C16H27N5S — CID 111920061

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESC/N=C(\NCc1scnc1C)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C16H27N5S/c1-12-15(22-11-19-12)9-18-16(17-2)20-13-7-8-21(10-13)14-5-3-4-6-14/h11,13-14H,3-10H2,1-2H3,(H2,17,18,20)
InChIKeySPPAEUWUVJWVEJ-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.13
Rot. Bonds4

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

1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine (PubChem CID 111920061) has the molecular formula C16H27N5S and a molecular weight of 321.49 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
PubChem CID111920061
Molecular FormulaC16H27N5S
Molecular Weight321.49 g/mol
Exact Mass321.20
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESC/N=C(\NCc1scnc1C)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C16H27N5S/c1-12-15(22-11-19-12)9-18-16(17-2)20-13-7-8-21(10-13)14-5-3-4-6-14/h11,13-14H,3-10H2,1-2H3,(H2,17,18,20)
InChIKeySPPAEUWUVJWVEJ-UHFFFAOYSA-N
XLogP2.13
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.13
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-(1-cyclopentylpyrrolidin-3-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 119157142
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylimidazol-2-yl)methyl]guanidine;hydroiodide
CID 119150641
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 119150712
4-[[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111920075
1-(1-cyclopentylpyrrolidin-3-yl)-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111920118
1-[(3-bromo-5-fluorophenyl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918819
1-(1-benzyl-2-methylpiperidin-4-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 109458286
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 119150752
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine
CID 111918947
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111918537
1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine
CID 111919835

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine (CID 111920061) is 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine is C/N=C(\NCc1scnc1C)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The InChIKey is SPPAEUWUVJWVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5S/c1-12-15(22-11-19-12)9-18-16(17-2)20-13-7-8-21(10-13)14-5-3-4-6-14/h11,13-14H,3-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine?
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine has a molecular weight of 321.49 g/mol, XLogP of 2.13, 4 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)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine is sourced from PubChem (CID 111920061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).