2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

C11H14N6O3S2 — CID 2090262

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESNc1cc(N)nc(SCC(=O)NCCN2C(=O)CSC2=O)n1
InChIInChI=1S/C11H14N6O3S2/c12-6-3-7(13)16-10(15-6)21-4-8(18)14-1-2-17-9(19)5-22-11(17)20/h3H,1-2,4-5H2,(H,14,18)(H4,12,13,15,16)
InChIKeyLGLZCXDTMDNZIL-UHFFFAOYSA-N
MW342.41 g/mol
LogP-0.46
Rot. Bonds6

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (PubChem CID 2090262) has the molecular formula C11H14N6O3S2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
PubChem CID2090262
Molecular FormulaC11H14N6O3S2
Molecular Weight342.41 g/mol
Exact Mass342.06
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESNc1cc(N)nc(SCC(=O)NCCN2C(=O)CSC2=O)n1
InChIInChI=1S/C11H14N6O3S2/c12-6-3-7(13)16-10(15-6)21-4-8(18)14-1-2-17-9(19)5-22-11(17)20/h3H,1-2,4-5H2,(H,14,18)(H4,12,13,15,16)
InChIKeyLGLZCXDTMDNZIL-UHFFFAOYSA-N
XLogP-0.46
TPSA144.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-(4,6-diaminopyrimidin-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

Related Compounds

2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 857392
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 16345549
2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 652687
N-(cyclopentylcarbamoyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 2641429
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 16332410
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 4317303
N-(cyclopropylmethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-propylacetamide
CID 4793032
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 4798205
N-cyclohexyl-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide
CID 799437
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 4332543
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 17547585
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78765402

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (CID 2090262) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is Nc1cc(N)nc(SCC(=O)NCCN2C(=O)CSC2=O)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The InChIKey is LGLZCXDTMDNZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3S2/c12-6-3-7(13)16-10(15-6)21-4-8(18)14-1-2-17-9(19)5-22-11(17)20/h3H,1-2,4-5H2,(H,14,18)(H4,12,13,15,16).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide has a molecular weight of 342.41 g/mol, XLogP of -0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 2090262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).