2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine

C15H25BrN4S — CID 111415437

IUPAC2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(Br)s1)NCCN1CCCCC1
InChIInChI=1S/C15H25BrN4S/c1-2-17-15(19-12-13-6-7-14(16)21-13)18-8-11-20-9-4-3-5-10-20/h6-7H,2-5,8-12H2,1H3,(H2,17,18,19)
InChIKeyZLCWDWBGXPSZAN-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.05
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine

2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine (PubChem CID 111415437) has the molecular formula C15H25BrN4S and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine
PubChem CID111415437
Molecular FormulaC15H25BrN4S
Molecular Weight373.36 g/mol
Exact Mass372.10
IUPAC Name2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(Br)s1)NCCN1CCCCC1
InChIInChI=1S/C15H25BrN4S/c1-2-17-15(19-12-13-6-7-14(16)21-13)18-8-11-20-9-4-3-5-10-20/h6-7H,2-5,8-12H2,1H3,(H2,17,18,19)
InChIKeyZLCWDWBGXPSZAN-UHFFFAOYSA-N
XLogP3.05
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-bromothiophen-2-yl)methyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415172
2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110941652
1-[2-(azepan-1-yl)ethyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940696
1-ethyl-2-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416408
1-ethyl-2-[(3-hydroxyphenyl)methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111416289
1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415088
2-[(5-bromothiophen-2-yl)methyl]-1-butan-2-yl-3-ethylguanidine;hydroiodide
CID 110945243
1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111416937
4-[[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]methyl]benzamide
CID 111415349
1-ethyl-3-(4-pyrrolidin-1-ylbutyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111259772
2-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111755236
1-ethyl-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415942

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine (CID 111415437) is 2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine is CCN/C(=N\Cc1ccc(Br)s1)NCCN1CCCCC1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine?
The InChIKey is ZLCWDWBGXPSZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4S/c1-2-17-15(19-12-13-6-7-14(16)21-13)18-8-11-20-9-4-3-5-10-20/h6-7H,2-5,8-12H2,1H3,(H2,17,18,19).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine?
2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine has a molecular weight of 373.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine is sourced from PubChem (CID 111415437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).