2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one

C14H20N2OS2 — CID 42795848

IUPAC2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one
SMILESCc1ccsc1C1SCC(=O)N1CC1CCNCC1
InChIInChI=1S/C14H20N2OS2/c1-10-4-7-18-13(10)14-16(12(17)9-19-14)8-11-2-5-15-6-3-11/h4,7,11,14-15H,2-3,5-6,8-9H2,1H3
InChIKeyFSPMELWTDJQVBG-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.63
Rot. Bonds3

About 2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one

2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 42795848) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID42795848
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC Name2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one
SMILESCc1ccsc1C1SCC(=O)N1CC1CCNCC1
InChIInChI=1S/C14H20N2OS2/c1-10-4-7-18-13(10)14-16(12(17)9-19-14)8-11-2-5-15-6-3-11/h4,7,11,14-15H,2-3,5-6,8-9H2,1H3
InChIKeyFSPMELWTDJQVBG-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one (CID 42795848) is 2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one is Cc1ccsc1C1SCC(=O)N1CC1CCNCC1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is FSPMELWTDJQVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c1-10-4-7-18-13(10)14-16(12(17)9-19-14)8-11-2-5-15-6-3-11/h4,7,11,14-15H,2-3,5-6,8-9H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one?
2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 296.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 42795848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).