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

C14H14N4OS — CID 4984571

IUPAC3-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one
SMILESCc1cnc(CN2C(=O)CSC2c2ccncc2)cn1
InChIInChI=1S/C14H14N4OS/c1-10-6-17-12(7-16-10)8-18-13(19)9-20-14(18)11-2-4-15-5-3-11/h2-7,14H,8-9H2,1H3
InChIKeyIEVMTMBVFAXFLJ-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.95
Rot. Bonds3

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

3-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one (PubChem CID 4984571) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one
PubChem CID4984571
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name3-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one
SMILESCc1cnc(CN2C(=O)CSC2c2ccncc2)cn1
InChIInChI=1S/C14H14N4OS/c1-10-6-17-12(7-16-10)8-18-13(19)9-20-14(18)11-2-4-15-5-3-11/h2-7,14H,8-9H2,1H3
InChIKeyIEVMTMBVFAXFLJ-UHFFFAOYSA-N
XLogP1.95
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.95
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-pyridin-4-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one (CID 4984571) is 3-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one is Cc1cnc(CN2C(=O)CSC2c2ccncc2)cn1.
What is the InChIKey of 3-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one?
The InChIKey is IEVMTMBVFAXFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-10-6-17-12(7-16-10)8-18-13(19)9-20-14(18)11-2-4-15-5-3-11/h2-7,14H,8-9H2,1H3.
What are the key properties of 3-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one?
3-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-4-yl-1,3-thiazolidin-4-one has a molecular weight of 286.36 g/mol, XLogP of 1.95, 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-pyridin-4-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 4984571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).