2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine

C11H17N5O2S — CID 119121081

IUPAC2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\CCN1CCCS1(=O)=O)Nc1ccccn1
InChIInChI=1S/C11H17N5O2S/c12-11(15-10-4-1-2-5-13-10)14-6-8-16-7-3-9-19(16,17)18/h1-2,4-5H,3,6-9H2,(H3,12,13,14,15)
InChIKeyDXBCXCBXPAUMPA-UHFFFAOYSA-N
MW283.36 g/mol
LogP-0.16
Rot. Bonds4

About 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine

2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine (PubChem CID 119121081) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine
PubChem CID119121081
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\CCN1CCCS1(=O)=O)Nc1ccccn1
InChIInChI=1S/C11H17N5O2S/c12-11(15-10-4-1-2-5-13-10)14-6-8-16-7-3-9-19(16,17)18/h1-2,4-5H,3,6-9H2,(H3,12,13,14,15)
InChIKeyDXBCXCBXPAUMPA-UHFFFAOYSA-N
XLogP-0.16
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 5-0.16
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

2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111091466
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721585
2-(2-morpholin-4-ylethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119117134
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111091424
2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120662941
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119120862
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]guanidine;hydroiodide
CID 111599933
2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119147770
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119227
2-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 119146849

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine?
The IUPAC name of 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine (CID 119121081) is 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine is N/C(=N\CCN1CCCS1(=O)=O)Nc1ccccn1.
What is the InChIKey of 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine?
The InChIKey is DXBCXCBXPAUMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c12-11(15-10-4-1-2-5-13-10)14-6-8-16-7-3-9-19(16,17)18/h1-2,4-5H,3,6-9H2,(H3,12,13,14,15).
What are the key properties of 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine?
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine has a molecular weight of 283.36 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine is sourced from PubChem (CID 119121081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).