(2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one

C18H20N2O6S4 — CID 3076482

IUPAC(2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one
SMILESCc1ccc([C@H]2N(CCN3C(=O)CS(=O)(=O)[C@H]3c3ccc(C)s3)C(=O)CS2(=O)=O)s1
InChIInChI=1S/C18H20N2O6S4/c1-11-3-5-13(27-11)17-19(15(21)9-29(17,23)24)7-8-20-16(22)10-30(25,26)18(20)14-6-4-12(2)28-14/h3-6,17-18H,7-10H2,1-2H3/t17-,18-/m0/s1
InChIKeyCFFXQCHTNMIZSR-ROUUACIJSA-N
MW488.63 g/mol
LogP1.64
Rot. Bonds5

About (2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one

(2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one (PubChem CID 3076482) has the molecular formula C18H20N2O6S4 and a molecular weight of 488.63 g/mol. Its IUPAC name is (2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one
PubChem CID3076482
Molecular FormulaC18H20N2O6S4
Molecular Weight488.63 g/mol
Exact Mass488.02
IUPAC Name(2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one
SMILESCc1ccc([C@H]2N(CCN3C(=O)CS(=O)(=O)[C@H]3c3ccc(C)s3)C(=O)CS2(=O)=O)s1
InChIInChI=1S/C18H20N2O6S4/c1-11-3-5-13(27-11)17-19(15(21)9-29(17,23)24)7-8-20-16(22)10-30(25,26)18(20)14-6-4-12(2)28-14/h3-6,17-18H,7-10H2,1-2H3/t17-,18-/m0/s1
InChIKeyCFFXQCHTNMIZSR-ROUUACIJSA-N
XLogP1.64
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one (CID 3076482) is (2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one is Cc1ccc([C@H]2N(CCN3C(=O)CS(=O)(=O)[C@H]3c3ccc(C)s3)C(=O)CS2(=O)=O)s1.
What is the InChIKey of (2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one?
The InChIKey is CFFXQCHTNMIZSR-ROUUACIJSA-N. The full InChI is InChI=1S/C18H20N2O6S4/c1-11-3-5-13(27-11)17-19(15(21)9-29(17,23)24)7-8-20-16(22)10-30(25,26)18(20)14-6-4-12(2)28-14/h3-6,17-18H,7-10H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one?
(2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one has a molecular weight of 488.63 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one is sourced from PubChem (CID 3076482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).