methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide

C14H19IN4S2 — CID 173388062

IUPACmethyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide
SMILESCS/C(N)=N\CCN(Cc1cccs1)c1ccccn1.I
InChIInChI=1S/C14H18N4S2.HI/c1-19-14(15)17-8-9-18(11-12-5-4-10-20-12)13-6-2-3-7-16-13;/h2-7,10H,8-9,11H2,1H3,(H2,15,17);1H
InChIKeyHQXHIFDYBPICJH-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.45
Rot. Bonds6

About methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide

methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide (PubChem CID 173388062) has the molecular formula C14H19IN4S2 and a molecular weight of 434.37 g/mol. Its IUPAC name is methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide.

Molecular Properties

Compound Namemethyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide
PubChem CID173388062
Molecular FormulaC14H19IN4S2
Molecular Weight434.37 g/mol
Exact Mass434.01
IUPAC Namemethyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide
SMILESCS/C(N)=N\CCN(Cc1cccs1)c1ccccn1.I
InChIInChI=1S/C14H18N4S2.HI/c1-19-14(15)17-8-9-18(11-12-5-4-10-20-12)13-6-2-3-7-16-13;/h2-7,10H,8-9,11H2,1H3,(H2,15,17);1H
InChIKeyHQXHIFDYBPICJH-UHFFFAOYSA-N
XLogP3.45
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]guanidine
CID 19861119
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
methyl N'-(3-pyridin-2-ylpropyl)carbamimidothioate
CID 14126562
methyl N'-[4-(pyridin-2-ylamino)butyl]carbamimidothioate;hydroiodide
CID 15616781
3-[methyl(pyridin-3-yl)amino]-4-[3-[pyridin-2-yl(thiophen-2-ylmethyl)amino]propylamino]cyclobut-3-ene-1,2-dione
CID 88660766
4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61438001
2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012481
3-[ethyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684545
2-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013460

Frequently Asked Questions

What is the IUPAC name of methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide?
The IUPAC name of methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide (CID 173388062) is methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide.
What is the SMILES notation for methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide?
The canonical SMILES for methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide is CS/C(N)=N\CCN(Cc1cccs1)c1ccccn1.I.
What is the InChIKey of methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide?
The InChIKey is HQXHIFDYBPICJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S2.HI/c1-19-14(15)17-8-9-18(11-12-5-4-10-20-12)13-6-2-3-7-16-13;/h2-7,10H,8-9,11H2,1H3,(H2,15,17);1H.
What are the key properties of methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide?
methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide has a molecular weight of 434.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]carbamimidothioate;hydroiodide is sourced from PubChem (CID 173388062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).