3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one

C12H18N2OS2 — CID 42814189

IUPAC3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCC1SC(c2cccs2)N(CCN(C)C)C1=O
InChIInChI=1S/C12H18N2OS2/c1-9-11(15)14(7-6-13(2)3)12(17-9)10-5-4-8-16-10/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyAYQICRIMOKSDDI-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.27
Rot. Bonds4

About 3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one

3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one (PubChem CID 42814189) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one
PubChem CID42814189
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC Name3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCC1SC(c2cccs2)N(CCN(C)C)C1=O
InChIInChI=1S/C12H18N2OS2/c1-9-11(15)14(7-6-13(2)3)12(17-9)10-5-4-8-16-10/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyAYQICRIMOKSDDI-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one (CID 42814189) is 3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one is CC1SC(c2cccs2)N(CCN(C)C)C1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The InChIKey is AYQICRIMOKSDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-9-11(15)14(7-6-13(2)3)12(17-9)10-5-4-8-16-10/h4-5,8-9,12H,6-7H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one?
3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one has a molecular weight of 270.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-5-methyl-2-thiophen-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 42814189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).