6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide

C10H9ClN4O3S — CID 106551164

IUPAC6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCN1C(=O)CSC1=O)c1cncc(Cl)n1
InChIInChI=1S/C10H9ClN4O3S/c11-7-4-12-3-6(14-7)9(17)13-1-2-15-8(16)5-19-10(15)18/h3-4H,1-2,5H2,(H,13,17)
InChIKeyOJKUXIFRJDILOU-UHFFFAOYSA-N
MW300.73 g/mol
LogP0.56
Rot. Bonds4

About 6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide

6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 106551164) has the molecular formula C10H9ClN4O3S and a molecular weight of 300.73 g/mol. Its IUPAC name is 6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID106551164
Molecular FormulaC10H9ClN4O3S
Molecular Weight300.73 g/mol
Exact Mass300.01
IUPAC Name6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCN1C(=O)CSC1=O)c1cncc(Cl)n1
InChIInChI=1S/C10H9ClN4O3S/c11-7-4-12-3-6(14-7)9(17)13-1-2-15-8(16)5-19-10(15)18/h3-4H,1-2,5H2,(H,13,17)
InChIKeyOJKUXIFRJDILOU-UHFFFAOYSA-N
XLogP0.56
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.73
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide
CID 108808097
2-(3,4-dichlorophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 52717864
5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide
CID 103622962
6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106551138
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 47806814
3-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 43470811
6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide
CID 106551316
6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 103187315
2-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 63679671
6-chloro-N-(2-sulfamoylethyl)pyrazine-2-carboxamide
CID 103187109
6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 103187169
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519241

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide (CID 106551164) is 6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide is O=C(NCCN1C(=O)CSC1=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is OJKUXIFRJDILOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O3S/c11-7-4-12-3-6(14-7)9(17)13-1-2-15-8(16)5-19-10(15)18/h3-4H,1-2,5H2,(H,13,17).
What are the key properties of 6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide?
6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 300.73 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106551164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).