2-benzyl-1-(1-thiophen-2-ylethyl)guanidine

C14H17N3S — CID 130158185

IUPAC2-benzyl-1-(1-thiophen-2-ylethyl)guanidine
SMILESCC(N/C(N)=N/Cc1ccccc1)c1cccs1
InChIInChI=1S/C14H17N3S/c1-11(13-8-5-9-18-13)17-14(15)16-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H3,15,16,17)
InChIKeyLAZHBMFVLIWROO-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.91
Rot. Bonds4

About 2-benzyl-1-(1-thiophen-2-ylethyl)guanidine

2-benzyl-1-(1-thiophen-2-ylethyl)guanidine (PubChem CID 130158185) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-benzyl-1-(1-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-(1-thiophen-2-ylethyl)guanidine
PubChem CID130158185
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-benzyl-1-(1-thiophen-2-ylethyl)guanidine
SMILESCC(N/C(N)=N/Cc1ccccc1)c1cccs1
InChIInChI=1S/C14H17N3S/c1-11(13-8-5-9-18-13)17-14(15)16-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H3,15,16,17)
InChIKeyLAZHBMFVLIWROO-UHFFFAOYSA-N
XLogP2.91
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-benzyl-1-[(1R)-1-thiophen-2-ylethyl]guanidine
CID 130567874
2-propyl-1-(1-thiophen-2-ylethyl)guanidine
CID 62363953
2-benzyl-1-(4-methoxybutan-2-yl)guanidine
CID 130557096
2-benzyl-1-propan-2-yloxyguanidine
CID 130964833
2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
CID 130567942
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine
CID 110919590
1-ethyl-2-[(3-hydroxyphenyl)methyl]-3-(1-thiophen-2-ylethyl)guanidine
CID 111331064
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
2-benzyl-1-(1-cyclopropylpropyl)guanidine
CID 130671344
1-[1-(2,4-dichlorophenyl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111026517
(3R)-3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 93104023

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(1-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-benzyl-1-(1-thiophen-2-ylethyl)guanidine (CID 130158185) is 2-benzyl-1-(1-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-benzyl-1-(1-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-benzyl-1-(1-thiophen-2-ylethyl)guanidine is CC(N/C(N)=N/Cc1ccccc1)c1cccs1.
What is the InChIKey of 2-benzyl-1-(1-thiophen-2-ylethyl)guanidine?
The InChIKey is LAZHBMFVLIWROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11(13-8-5-9-18-13)17-14(15)16-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H3,15,16,17).
What are the key properties of 2-benzyl-1-(1-thiophen-2-ylethyl)guanidine?
2-benzyl-1-(1-thiophen-2-ylethyl)guanidine has a molecular weight of 259.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(1-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 130158185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).