(2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone

C14H14N2OS — CID 122331673

IUPAC(2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone
SMILESCC1SCCN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H14N2OS/c1-10-16(8-9-18-10)14(17)13-7-6-11-4-2-3-5-12(11)15-13/h2-7,10H,8-9H2,1H3
InChIKeyFXIDSJFEZJTGDI-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.77
Rot. Bonds1

About (2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone

(2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone (PubChem CID 122331673) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is (2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone
PubChem CID122331673
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name(2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone
SMILESCC1SCCN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H14N2OS/c1-10-16(8-9-18-10)14(17)13-7-6-11-4-2-3-5-12(11)15-13/h2-7,10H,8-9H2,1H3
InChIKeyFXIDSJFEZJTGDI-UHFFFAOYSA-N
XLogP2.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone?
The IUPAC name of (2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone (CID 122331673) is (2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone.
What is the SMILES notation for (2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone?
The canonical SMILES for (2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone is CC1SCCN1C(=O)c1ccc2ccccc2n1.
What is the InChIKey of (2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone?
The InChIKey is FXIDSJFEZJTGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10-16(8-9-18-10)14(17)13-7-6-11-4-2-3-5-12(11)15-13/h2-7,10H,8-9H2,1H3.
What are the key properties of (2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone?
(2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone has a molecular weight of 258.35 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone is sourced from PubChem (CID 122331673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).