1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine

C19H35N5OS — CID 111534462

IUPAC1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
SMILESCCc1cnc(CN/C(=N\C)NCC(C(CC)CC)N2CCOCC2)s1
InChIInChI=1S/C19H35N5OS/c1-5-15(6-2)17(24-8-10-25-11-9-24)13-22-19(20-4)23-14-18-21-12-16(7-3)26-18/h12,15,17H,5-11,13-14H2,1-4H3,(H2,20,22,23)
InChIKeyYEXPOFKJVJDVGC-UHFFFAOYSA-N
MW381.59 g/mol
LogP2.51
Rot. Bonds9

About 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine

1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine (PubChem CID 111534462) has the molecular formula C19H35N5OS and a molecular weight of 381.59 g/mol. Its IUPAC name is 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
PubChem CID111534462
Molecular FormulaC19H35N5OS
Molecular Weight381.59 g/mol
Exact Mass381.26
IUPAC Name1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
SMILESCCc1cnc(CN/C(=N\C)NCC(C(CC)CC)N2CCOCC2)s1
InChIInChI=1S/C19H35N5OS/c1-5-15(6-2)17(24-8-10-25-11-9-24)13-22-19(20-4)23-14-18-21-12-16(7-3)26-18/h12,15,17H,5-11,13-14H2,1-4H3,(H2,20,22,23)
InChIKeyYEXPOFKJVJDVGC-UHFFFAOYSA-N
XLogP2.51
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.59
LogP ≤ 52.51
H-Bond Donors ≤ 52
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

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111534806
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111533966
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111514277
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111536031
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111515209
1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 110954798
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111936358
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 111531583
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine
CID 111228651
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111534886
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide
CID 111936568
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111936924

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine (CID 111534462) is 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine is CCc1cnc(CN/C(=N\C)NCC(C(CC)CC)N2CCOCC2)s1.
What is the InChIKey of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine?
The InChIKey is YEXPOFKJVJDVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5OS/c1-5-15(6-2)17(24-8-10-25-11-9-24)13-22-19(20-4)23-14-18-21-12-16(7-3)26-18/h12,15,17H,5-11,13-14H2,1-4H3,(H2,20,22,23).
What are the key properties of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine?
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine has a molecular weight of 381.59 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 111534462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).