2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine

C13H17N5S — CID 19861119

IUPAC2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine
SMILESNC(N)=NCCN(Cc1cccs1)c1ccccn1
InChIInChI=1S/C13H17N5S/c14-13(15)17-7-8-18(10-11-4-3-9-19-11)12-5-1-2-6-16-12/h1-6,9H,7-8,10H2,(H4,14,15,17)
InChIKeyVQUYLFSTLDPVRB-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.42
Rot. Bonds6

About 2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine

2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine (PubChem CID 19861119) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine
PubChem CID19861119
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine
SMILESNC(N)=NCCN(Cc1cccs1)c1ccccn1
InChIInChI=1S/C13H17N5S/c14-13(15)17-7-8-18(10-11-4-3-9-19-11)12-5-1-2-6-16-12/h1-6,9H,7-8,10H2,(H4,14,15,17)
InChIKeyVQUYLFSTLDPVRB-UHFFFAOYSA-N
XLogP1.42
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.42
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

methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide
CID 173388062
N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine chloride
CID 45114124
N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 23882701
1-pyridin-2-yl-1-(thiophen-2-ylmethyl)hydrazine
CID 70449715
N-[3-[(4-benzylimino-1-oxido-1,2,5-thiadiazolidin-1-ium-3-ylidene)amino]propyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 135986130
3-[methyl(pyridin-3-yl)amino]-4-[3-[pyridin-2-yl(thiophen-2-ylmethyl)amino]propylamino]cyclobut-3-ene-1,2-dione
CID 88660766
2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012481
pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate
CID 164739782
N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 91581925
2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012479
5-[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 122054307
2-(4-methylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 67510388

Frequently Asked Questions

What is the IUPAC name of 2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine?
The IUPAC name of 2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine (CID 19861119) is 2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine.
What is the SMILES notation for 2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine?
The canonical SMILES for 2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine is NC(N)=NCCN(Cc1cccs1)c1ccccn1.
What is the InChIKey of 2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine?
The InChIKey is VQUYLFSTLDPVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c14-13(15)17-7-8-18(10-11-4-3-9-19-11)12-5-1-2-6-16-12/h1-6,9H,7-8,10H2,(H4,14,15,17).
What are the key properties of 2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine?
2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine has a molecular weight of 275.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine is sourced from PubChem (CID 19861119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).