5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one

C14H20N2OS2 — CID 42795751

IUPAC5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccsc2)N(CC2CCNCC2)C1=O
InChIInChI=1S/C14H20N2OS2/c1-10-13(17)16(8-11-2-5-15-6-3-11)14(19-10)12-4-7-18-9-12/h4,7,9-11,14-15H,2-3,5-6,8H2,1H3
InChIKeyJYUGMCSNNOEMIP-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.71
Rot. Bonds3

About 5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one

5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one (PubChem CID 42795751) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one
PubChem CID42795751
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC Name5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccsc2)N(CC2CCNCC2)C1=O
InChIInChI=1S/C14H20N2OS2/c1-10-13(17)16(8-11-2-5-15-6-3-11)14(19-10)12-4-7-18-9-12/h4,7,9-11,14-15H,2-3,5-6,8H2,1H3
InChIKeyJYUGMCSNNOEMIP-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one (CID 42795751) is 5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one is CC1SC(c2ccsc2)N(CC2CCNCC2)C1=O.
What is the InChIKey of 5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one?
The InChIKey is JYUGMCSNNOEMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c1-10-13(17)16(8-11-2-5-15-6-3-11)14(19-10)12-4-7-18-9-12/h4,7,9-11,14-15H,2-3,5-6,8H2,1H3.
What are the key properties of 5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one?
5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one has a molecular weight of 296.46 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 42795751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).