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

C15H19N3O2S — CID 71968315

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NCCN1CCCS1(=O)=O
InChIInChI=1S/C15H19N3O2S/c1-12-11-13-5-2-3-6-14(13)17-15(12)16-7-9-18-8-4-10-21(18,19)20/h2-3,5-6,11H,4,7-10H2,1H3,(H,16,17)
InChIKeyOJUXKTWPHDQIAP-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.99
Rot. Bonds4

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

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine (PubChem CID 71968315) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine
PubChem CID71968315
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine
SMILESCc1cc2ccccc2nc1NCCN1CCCS1(=O)=O
InChIInChI=1S/C15H19N3O2S/c1-12-11-13-5-2-3-6-14(13)17-15(12)16-7-9-18-8-4-10-21(18,19)20/h2-3,5-6,11H,4,7-10H2,1H3,(H,16,17)
InChIKeyOJUXKTWPHDQIAP-UHFFFAOYSA-N
XLogP1.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine (CID 71968315) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine is Cc1cc2ccccc2nc1NCCN1CCCS1(=O)=O.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine?
The InChIKey is OJUXKTWPHDQIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12-11-13-5-2-3-6-14(13)17-15(12)16-7-9-18-8-4-10-21(18,19)20/h2-3,5-6,11H,4,7-10H2,1H3,(H,16,17).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine has a molecular weight of 305.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-methylquinolin-2-amine is sourced from PubChem (CID 71968315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).