4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine

C6H10N4O2S2 — CID 62209590

IUPAC4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine
SMILESNc1snnc1CN1CCCS1(=O)=O
InChIInChI=1S/C6H10N4O2S2/c7-6-5(8-9-13-6)4-10-2-1-3-14(10,11)12/h1-4,7H2
InChIKeyVOAJPMNKRZGNKC-UHFFFAOYSA-N
MW234.31 g/mol
LogP-0.34
Rot. Bonds2

About 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine

4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine (PubChem CID 62209590) has the molecular formula C6H10N4O2S2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine
PubChem CID62209590
Molecular FormulaC6H10N4O2S2
Molecular Weight234.31 g/mol
Exact Mass234.02
IUPAC Name4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine
SMILESNc1snnc1CN1CCCS1(=O)=O
InChIInChI=1S/C6H10N4O2S2/c7-6-5(8-9-13-6)4-10-2-1-3-14(10,11)12/h1-4,7H2
InChIKeyVOAJPMNKRZGNKC-UHFFFAOYSA-N
XLogP-0.34
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine (CID 62209590) is 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine is Nc1snnc1CN1CCCS1(=O)=O.
What is the InChIKey of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine?
The InChIKey is VOAJPMNKRZGNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S2/c7-6-5(8-9-13-6)4-10-2-1-3-14(10,11)12/h1-4,7H2.
What are the key properties of 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine?
4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine has a molecular weight of 234.31 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62209590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).