N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C14H18N4O3S2 — CID 2078211

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NCCN2C(=O)CSC2=O)nc(C)c1C
InChIInChI=1S/C14H18N4O3S2/c1-8-9(2)16-13(17-10(8)3)22-6-11(19)15-4-5-18-12(20)7-23-14(18)21/h4-7H2,1-3H3,(H,15,19)
InChIKeyQIZUDLGZPRWQMT-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.31
Rot. Bonds6

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2078211) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2078211
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NCCN2C(=O)CSC2=O)nc(C)c1C
InChIInChI=1S/C14H18N4O3S2/c1-8-9(2)16-13(17-10(8)3)22-6-11(19)15-4-5-18-12(20)7-23-14(18)21/h4-7H2,1-3H3,(H,15,19)
InChIKeyQIZUDLGZPRWQMT-UHFFFAOYSA-N
XLogP1.31
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide 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

N-(propan-2-ylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2449001
N-(2-methoxyethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2472630
N-(cyclohexylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2442329
1-[2-(4,5,6-Trimethylpyrimidin-2-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2481380
N-(oxolan-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 3936923
N-(2-methylcyclohexyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 5151351
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 5189439
N-(tert-butylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2083120
N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2496710
N-(2,2,2-trifluoroethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8354801
N-(2,2,2-trifluoroethylcarbamoyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8735031
N-cyclohexyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2083398

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 2078211) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is Cc1nc(SCC(=O)NCCN2C(=O)CSC2=O)nc(C)c1C.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is QIZUDLGZPRWQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-8-9(2)16-13(17-10(8)3)22-6-11(19)15-4-5-18-12(20)7-23-14(18)21/h4-7H2,1-3H3,(H,15,19).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 354.46 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2078211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).