3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one

C12H16N2OS — CID 4995229

IUPAC3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCCCCN1C(=O)CSC1c1ccccn1
InChIInChI=1S/C12H16N2OS/c1-2-3-8-14-11(15)9-16-12(14)10-6-4-5-7-13-10/h4-7,12H,2-3,8-9H2,1H3
InChIKeyFGJIXEDOCHBKSM-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.46
Rot. Bonds4

About 3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one

3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one (PubChem CID 4995229) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
PubChem CID4995229
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
SMILESCCCCN1C(=O)CSC1c1ccccn1
InChIInChI=1S/C12H16N2OS/c1-2-3-8-14-11(15)9-16-12(14)10-6-4-5-7-13-10/h4-7,12H,2-3,8-9H2,1H3
InChIKeyFGJIXEDOCHBKSM-UHFFFAOYSA-N
XLogP2.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one (CID 4995229) is 3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one is CCCCN1C(=O)CSC1c1ccccn1.
What is the InChIKey of 3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is FGJIXEDOCHBKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-3-8-14-11(15)9-16-12(14)10-6-4-5-7-13-10/h4-7,12H,2-3,8-9H2,1H3.
What are the key properties of 3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one?
3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one has a molecular weight of 236.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 4995229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).