1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine

C20H39N5S — CID 110998741

IUPAC1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1csc(C(C)C)n1)NC(C)CCCN(CC)CC
InChIInChI=1S/C20H39N5S/c1-7-21-20(23-17(6)11-10-14-25(8-2)9-3)22-13-12-18-15-26-19(24-18)16(4)5/h15-17H,7-14H2,1-6H3,(H2,21,22,23)
InChIKeyLSXGJAYUSVMUHD-UHFFFAOYSA-N
MW381.63 g/mol
LogP3.87
Rot. Bonds12

About 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine

1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine (PubChem CID 110998741) has the molecular formula C20H39N5S and a molecular weight of 381.63 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
PubChem CID110998741
Molecular FormulaC20H39N5S
Molecular Weight381.63 g/mol
Exact Mass381.29
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1csc(C(C)C)n1)NC(C)CCCN(CC)CC
InChIInChI=1S/C20H39N5S/c1-7-21-20(23-17(6)11-10-14-25(8-2)9-3)22-13-12-18-15-26-19(24-18)16(4)5/h15-17H,7-14H2,1-6H3,(H2,21,22,23)
InChIKeyLSXGJAYUSVMUHD-UHFFFAOYSA-N
XLogP3.87
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.63
LogP ≤ 53.87
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-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111236990
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine
CID 110999469
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]guanidine;hydroiodide
CID 110999146
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111961314
1-ethyl-3-(3-methylbutan-2-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111002765
1-[5-(diethylamino)pentan-2-yl]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine
CID 111759745
1-[5-(diethylamino)pentan-2-yl]-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethylguanidine;hydroiodide
CID 110999192
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 110998557
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111000043
1-[5-(diethylamino)pentan-2-yl]-2-[7-(dimethylamino)heptyl]-3-ethylguanidine;hydroiodide
CID 110998178
1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111664964
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110997693

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine (CID 110998741) is 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine is CCN/C(=N\CCc1csc(C(C)C)n1)NC(C)CCCN(CC)CC.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine?
The InChIKey is LSXGJAYUSVMUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5S/c1-7-21-20(23-17(6)11-10-14-25(8-2)9-3)22-13-12-18-15-26-19(24-18)16(4)5/h15-17H,7-14H2,1-6H3,(H2,21,22,23).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine?
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine has a molecular weight of 381.63 g/mol, XLogP of 3.87, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 110998741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).