ethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide

C13H24N2OS — CID 177161853

IUPACethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide
SMILESCC.CC.Cc1ccc(N2CCCS2=O)nc1
InChIInChI=1S/C9H12N2OS.2C2H6/c1-8-3-4-9(10-7-8)11-5-2-6-13(11)12;2*1-2/h3-4,7H,2,5-6H2,1H3;2*1-2H3
InChIKeyNCAVMKOPFKJNPG-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.32
Rot. Bonds1

About ethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide

ethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide (PubChem CID 177161853) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is ethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide.

Molecular Properties

Compound Nameethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide
PubChem CID177161853
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Nameethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide
SMILESCC.CC.Cc1ccc(N2CCCS2=O)nc1
InChIInChI=1S/C9H12N2OS.2C2H6/c1-8-3-4-9(10-7-8)11-5-2-6-13(11)12;2*1-2/h3-4,7H,2,5-6H2,1H3;2*1-2H3
InChIKeyNCAVMKOPFKJNPG-UHFFFAOYSA-N
XLogP3.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide?
The IUPAC name of ethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide (CID 177161853) is ethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide.
What is the SMILES notation for ethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide?
The canonical SMILES for ethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide is CC.CC.Cc1ccc(N2CCCS2=O)nc1.
What is the InChIKey of ethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide?
The InChIKey is NCAVMKOPFKJNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS.2C2H6/c1-8-3-4-9(10-7-8)11-5-2-6-13(11)12;2*1-2/h3-4,7H,2,5-6H2,1H3;2*1-2H3.
What are the key properties of ethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide?
ethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide has a molecular weight of 256.41 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(5-methyl-2-pyridinyl)-1,2-thiazolidine 1-oxide is sourced from PubChem (CID 177161853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).