4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine

C8H11N3O2S — CID 63061752

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine
SMILESNc1cnccc1N1CCCS1(=O)=O
InChIInChI=1S/C8H11N3O2S/c9-7-6-10-3-2-8(7)11-4-1-5-14(11,12)13/h2-3,6H,1,4-5,9H2
InChIKeyPJGYNFPTJSQXFJ-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.20
Rot. Bonds1

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine

4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine (PubChem CID 63061752) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine
PubChem CID63061752
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine
SMILESNc1cnccc1N1CCCS1(=O)=O
InChIInChI=1S/C8H11N3O2S/c9-7-6-10-3-2-8(7)11-4-1-5-14(11,12)13/h2-3,6H,1,4-5,9H2
InChIKeyPJGYNFPTJSQXFJ-UHFFFAOYSA-N
XLogP0.20
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine (CID 63061752) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine is Nc1cnccc1N1CCCS1(=O)=O.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine?
The InChIKey is PJGYNFPTJSQXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c9-7-6-10-3-2-8(7)11-4-1-5-14(11,12)13/h2-3,6H,1,4-5,9H2.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine has a molecular weight of 213.26 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine is sourced from PubChem (CID 63061752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).