3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one

C18H16N4OS — CID 3597331

IUPAC3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one
SMILESCc1cnc(CN2C(=O)CSC2c2ccnc3ccccc23)cn1
InChIInChI=1S/C18H16N4OS/c1-12-8-21-13(9-20-12)10-22-17(23)11-24-18(22)15-6-7-19-16-5-3-2-4-14(15)16/h2-9,18H,10-11H2,1H3
InChIKeyWXOROCLJWFPPNM-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.11
Rot. Bonds3

About 3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one

3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one (PubChem CID 3597331) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one
PubChem CID3597331
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one
SMILESCc1cnc(CN2C(=O)CSC2c2ccnc3ccccc23)cn1
InChIInChI=1S/C18H16N4OS/c1-12-8-21-13(9-20-12)10-22-17(23)11-24-18(22)15-6-7-19-16-5-3-2-4-14(15)16/h2-9,18H,10-11H2,1H3
InChIKeyWXOROCLJWFPPNM-UHFFFAOYSA-N
XLogP3.11
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one (CID 3597331) is 3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one is Cc1cnc(CN2C(=O)CSC2c2ccnc3ccccc23)cn1.
What is the InChIKey of 3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one?
The InChIKey is WXOROCLJWFPPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-12-8-21-13(9-20-12)10-22-17(23)11-24-18(22)15-6-7-19-16-5-3-2-4-14(15)16/h2-9,18H,10-11H2,1H3.
What are the key properties of 3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one?
3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one has a molecular weight of 336.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylpyrazin-2-yl)methyl]-2-quinolin-4-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3597331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).