N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C12H16N6O3S — CID 49066681

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESO=C(Cc1nc2ncccn2n1)NCCN1CCCS1(=O)=O
InChIInChI=1S/C12H16N6O3S/c19-11(13-4-7-17-5-2-8-22(17,20)21)9-10-15-12-14-3-1-6-18(12)16-10/h1,3,6H,2,4-5,7-9H2,(H,13,19)
InChIKeyUDEZQRFGNGOJIF-UHFFFAOYSA-N
MW324.37 g/mol
LogP-1.18
Rot. Bonds5

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 49066681) has the molecular formula C12H16N6O3S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID49066681
Molecular FormulaC12H16N6O3S
Molecular Weight324.37 g/mol
Exact Mass324.10
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESO=C(Cc1nc2ncccn2n1)NCCN1CCCS1(=O)=O
InChIInChI=1S/C12H16N6O3S/c19-11(13-4-7-17-5-2-8-22(17,20)21)9-10-15-12-14-3-1-6-18(12)16-10/h1,3,6H,2,4-5,7-9H2,(H,13,19)
InChIKeyUDEZQRFGNGOJIF-UHFFFAOYSA-N
XLogP-1.18
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 49066681) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is O=C(Cc1nc2ncccn2n1)NCCN1CCCS1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is UDEZQRFGNGOJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3S/c19-11(13-4-7-17-5-2-8-22(17,20)21)9-10-15-12-14-3-1-6-18(12)16-10/h1,3,6H,2,4-5,7-9H2,(H,13,19).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 324.37 g/mol, XLogP of -1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 49066681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).