2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine

C17H31N5OS — CID 109424800

IUPAC2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\CCN(CCOC)C1CC1)N(C)Cc1csc(C)n1
InChIInChI=1S/C17H31N5OS/c1-5-18-17(21(3)12-15-13-24-14(2)20-15)19-8-9-22(10-11-23-4)16-6-7-16/h13,16H,5-12H2,1-4H3,(H,18,19)
InChIKeyBDCLWJBAXJLGOM-UHFFFAOYSA-N
MW353.54 g/mol
LogP1.96
Rot. Bonds10

About 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine

2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine (PubChem CID 109424800) has the molecular formula C17H31N5OS and a molecular weight of 353.54 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
PubChem CID109424800
Molecular FormulaC17H31N5OS
Molecular Weight353.54 g/mol
Exact Mass353.22
IUPAC Name2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\CCN(CCOC)C1CC1)N(C)Cc1csc(C)n1
InChIInChI=1S/C17H31N5OS/c1-5-18-17(21(3)12-15-13-24-14(2)20-15)19-8-9-22(10-11-23-4)16-6-7-16/h13,16H,5-12H2,1-4H3,(H,18,19)
InChIKeyBDCLWJBAXJLGOM-UHFFFAOYSA-N
XLogP1.96
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propylguanidine
CID 109423768
1-benzyl-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 110951647
3-ethyl-1-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423121
2-(5-cyclohexyloxypentyl)-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109421838
2-(cyclopropylmethyl)-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109421889
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
CID 109456566
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-phenoxyethyl)guanidine;hydroiodide
CID 109423751
3-ethyl-1-methyl-2-[2-(3-methylbutoxy)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109424241
3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109421104
3-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109424397
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2-phenylmethoxyethyl)guanidine
CID 109423636
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 109423198

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The IUPAC name of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine (CID 109424800) is 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The canonical SMILES for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine is CCN/C(=N\CCN(CCOC)C1CC1)N(C)Cc1csc(C)n1.
What is the InChIKey of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
The InChIKey is BDCLWJBAXJLGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5OS/c1-5-18-17(21(3)12-15-13-24-14(2)20-15)19-8-9-22(10-11-23-4)16-6-7-16/h13,16H,5-12H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine?
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine has a molecular weight of 353.54 g/mol, XLogP of 1.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine is sourced from PubChem (CID 109424800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).