1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine

C13H23N5S — CID 104888456

IUPAC1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine
SMILESCCc1cnc(C(C)N/C(=N/C2CCCC2)NN)s1
InChIInChI=1S/C13H23N5S/c1-3-11-8-15-12(19-11)9(2)16-13(18-14)17-10-6-4-5-7-10/h8-10H,3-7,14H2,1-2H3,(H2,16,17,18)
InChIKeyRONKYYKTSNYGTF-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.12
Rot. Bonds4

About 1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine

1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine (PubChem CID 104888456) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine
PubChem CID104888456
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine
SMILESCCc1cnc(C(C)N/C(=N/C2CCCC2)NN)s1
InChIInChI=1S/C13H23N5S/c1-3-11-8-15-12(19-11)9(2)16-13(18-14)17-10-6-4-5-7-10/h8-10H,3-7,14H2,1-2H3,(H2,16,17,18)
InChIKeyRONKYYKTSNYGTF-UHFFFAOYSA-N
XLogP2.12
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103812633
(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 113264319
1-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115734764
1-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propan-2-ol
CID 103158239
3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 75473245
2-(1-aminocyclobutyl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112701971
1-cyclobutyl-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726794
N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-4-ylacetamide
CID 124576184
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 113267212
(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide
CID 103833289
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740581

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine?
The IUPAC name of 1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine (CID 104888456) is 1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine is CCc1cnc(C(C)N/C(=N/C2CCCC2)NN)s1.
What is the InChIKey of 1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine?
The InChIKey is RONKYYKTSNYGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-3-11-8-15-12(19-11)9(2)16-13(18-14)17-10-6-4-5-7-10/h8-10H,3-7,14H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine?
1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine has a molecular weight of 281.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine is sourced from PubChem (CID 104888456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).