2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide

C12H14N2O3S2 — CID 47808514

IUPAC2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1ccc(-c2nc(CN3CCCS3(=O)=O)cs2)o1
InChIInChI=1S/C12H14N2O3S2/c1-9-3-4-11(17-9)12-13-10(8-18-12)7-14-5-2-6-19(14,15)16/h3-4,8H,2,5-7H2,1H3
InChIKeyDRASGAOORLFGLO-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.25
Rot. Bonds3

About 2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide

2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 47808514) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID47808514
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1ccc(-c2nc(CN3CCCS3(=O)=O)cs2)o1
InChIInChI=1S/C12H14N2O3S2/c1-9-3-4-11(17-9)12-13-10(8-18-12)7-14-5-2-6-19(14,15)16/h3-4,8H,2,5-7H2,1H3
InChIKeyDRASGAOORLFGLO-UHFFFAOYSA-N
XLogP2.25
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide (CID 47808514) is 2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide is Cc1ccc(-c2nc(CN3CCCS3(=O)=O)cs2)o1.
What is the InChIKey of 2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is DRASGAOORLFGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-9-3-4-11(17-9)12-13-10(8-18-12)7-14-5-2-6-19(14,15)16/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 298.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 47808514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).