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

C17H33N5S — CID 110997693

IUPAC1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cnc(C)s1)NC(C)CCCN(CC)CC
InChIInChI=1S/C17H33N5S/c1-6-18-17(20-13-16-12-19-15(5)23-16)21-14(4)10-9-11-22(7-2)8-3/h12,14H,6-11,13H2,1-5H3,(H2,18,20,21)
InChIKeyKXCISNSHAJPICW-UHFFFAOYSA-N
MW339.55 g/mol
LogP3.02
Rot. Bonds10

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

1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine (PubChem CID 110997693) has the molecular formula C17H33N5S and a molecular weight of 339.55 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
PubChem CID110997693
Molecular FormulaC17H33N5S
Molecular Weight339.55 g/mol
Exact Mass339.25
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1cnc(C)s1)NC(C)CCCN(CC)CC
InChIInChI=1S/C17H33N5S/c1-6-18-17(20-13-16-12-19-15(5)23-16)21-14(4)10-9-11-22(7-2)8-3/h12,14H,6-11,13H2,1-5H3,(H2,18,20,21)
InChIKeyKXCISNSHAJPICW-UHFFFAOYSA-N
XLogP3.02
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 53.02
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-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111509826
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 111000107
1-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110947847
1-ethyl-3-(3-methylbutyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110977063
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-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 110999054
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(4-methylsulfanylphenyl)methyl]guanidine
CID 110997735
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 110999307
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(quinolin-4-ylmethyl)guanidine
CID 111968201
2-(1-benzofuran-2-ylmethyl)-1-[5-(diethylamino)pentan-2-yl]-3-ethylguanidine;hydroiodide
CID 110997770
1-ethyl-3-(2-ethylbutyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111890797
1-butyl-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111151239

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine (CID 110997693) is 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine is CCN/C(=N\Cc1cnc(C)s1)NC(C)CCCN(CC)CC.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine?
The InChIKey is KXCISNSHAJPICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5S/c1-6-18-17(20-13-16-12-19-15(5)23-16)21-14(4)10-9-11-22(7-2)8-3/h12,14H,6-11,13H2,1-5H3,(H2,18,20,21).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine?
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine has a molecular weight of 339.55 g/mol, XLogP of 3.02, 10 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-methyl-1,3-thiazol-5-yl)methyl]guanidine is sourced from PubChem (CID 110997693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).