2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

C11H13N5O4S2 — CID 135799426

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)NCCN2C(=O)CSC2=O)n1
InChIInChI=1S/C11H13N5O4S2/c12-6-3-7(17)15-10(14-6)21-4-8(18)13-1-2-16-9(19)5-22-11(16)20/h3H,1-2,4-5H2,(H,13,18)(H3,12,14,15,17)
InChIKeyGCRWVTJFZDZKQM-UHFFFAOYSA-N
MW343.39 g/mol
LogP-0.74
Rot. Bonds6

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (PubChem CID 135799426) has the molecular formula C11H13N5O4S2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
PubChem CID135799426
Molecular FormulaC11H13N5O4S2
Molecular Weight343.39 g/mol
Exact Mass343.04
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)NCCN2C(=O)CSC2=O)n1
InChIInChI=1S/C11H13N5O4S2/c12-6-3-7(17)15-10(14-6)21-4-8(18)13-1-2-16-9(19)5-22-11(16)20/h3H,1-2,4-5H2,(H,13,18)(H3,12,14,15,17)
InChIKeyGCRWVTJFZDZKQM-UHFFFAOYSA-N
XLogP-0.74
TPSA138.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (CID 135799426) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is Nc1cc(=O)[nH]c(SCC(=O)NCCN2C(=O)CSC2=O)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The InChIKey is GCRWVTJFZDZKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S2/c12-6-3-7(17)15-10(14-6)21-4-8(18)13-1-2-16-9(19)5-22-11(16)20/h3H,1-2,4-5H2,(H,13,18)(H3,12,14,15,17).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 135799426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).