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

C17H17N3O3S2 — CID 2473928

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NCCN2C(=O)CSC2=O)nc2ccccc12
InChIInChI=1S/C17H17N3O3S2/c1-11-8-15(19-13-5-3-2-4-12(11)13)24-9-14(21)18-6-7-20-16(22)10-25-17(20)23/h2-5,8H,6-7,9-10H2,1H3,(H,18,21)
InChIKeyDCAXTFUXRSWCKA-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.45
Rot. Bonds6

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

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 2473928) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID2473928
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NCCN2C(=O)CSC2=O)nc2ccccc12
InChIInChI=1S/C17H17N3O3S2/c1-11-8-15(19-13-5-3-2-4-12(11)13)24-9-14(21)18-6-7-20-16(22)10-25-17(20)23/h2-5,8H,6-7,9-10H2,1H3,(H,18,21)
InChIKeyDCAXTFUXRSWCKA-UHFFFAOYSA-N
XLogP2.45
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 2473928) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)NCCN2C(=O)CSC2=O)nc2ccccc12.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is DCAXTFUXRSWCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-11-8-15(19-13-5-3-2-4-12(11)13)24-9-14(21)18-6-7-20-16(22)10-25-17(20)23/h2-5,8H,6-7,9-10H2,1H3,(H,18,21).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 375.48 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2473928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).