4-methyl-2-quinolin-4-yl-1,3-thiazolidine

C13H14N2S — CID 66220379

IUPAC4-methyl-2-quinolin-4-yl-1,3-thiazolidine
SMILESCC1CSC(c2ccnc3ccccc23)N1
InChIInChI=1S/C13H14N2S/c1-9-8-16-13(15-9)11-6-7-14-12-5-3-2-4-10(11)12/h2-7,9,13,15H,8H2,1H3
InChIKeyHJPGTPVGYBDVMY-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.96
Rot. Bonds1

About 4-methyl-2-quinolin-4-yl-1,3-thiazolidine

4-methyl-2-quinolin-4-yl-1,3-thiazolidine (PubChem CID 66220379) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-methyl-2-quinolin-4-yl-1,3-thiazolidine.

Molecular Properties

Compound Name4-methyl-2-quinolin-4-yl-1,3-thiazolidine
PubChem CID66220379
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-methyl-2-quinolin-4-yl-1,3-thiazolidine
SMILESCC1CSC(c2ccnc3ccccc23)N1
InChIInChI=1S/C13H14N2S/c1-9-8-16-13(15-9)11-6-7-14-12-5-3-2-4-10(11)12/h2-7,9,13,15H,8H2,1H3
InChIKeyHJPGTPVGYBDVMY-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-quinolin-4-yl-1,3-thiazolidine?
The IUPAC name of 4-methyl-2-quinolin-4-yl-1,3-thiazolidine (CID 66220379) is 4-methyl-2-quinolin-4-yl-1,3-thiazolidine.
What is the SMILES notation for 4-methyl-2-quinolin-4-yl-1,3-thiazolidine?
The canonical SMILES for 4-methyl-2-quinolin-4-yl-1,3-thiazolidine is CC1CSC(c2ccnc3ccccc23)N1.
What is the InChIKey of 4-methyl-2-quinolin-4-yl-1,3-thiazolidine?
The InChIKey is HJPGTPVGYBDVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-9-8-16-13(15-9)11-6-7-14-12-5-3-2-4-10(11)12/h2-7,9,13,15H,8H2,1H3.
What are the key properties of 4-methyl-2-quinolin-4-yl-1,3-thiazolidine?
4-methyl-2-quinolin-4-yl-1,3-thiazolidine has a molecular weight of 230.34 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-quinolin-4-yl-1,3-thiazolidine is sourced from PubChem (CID 66220379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).