4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione

C13H5N3O2S2 — CID 132551703

IUPAC4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione
SMILESO=c1nc(-c2nccs2)c2c(=O)nc(-c3cccs3)c1=2
InChIInChI=1S/C13H5N3O2S2/c17-11-7-8(10(16-11)13-14-3-5-20-13)12(18)15-9(7)6-2-1-4-19-6/h1-5H
InChIKeyZLKZRZQDOMTDNL-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.65
Rot. Bonds2

About 4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione

4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione (PubChem CID 132551703) has the molecular formula C13H5N3O2S2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione
PubChem CID132551703
Molecular FormulaC13H5N3O2S2
Molecular Weight299.34 g/mol
Exact Mass298.98
IUPAC Name4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione
SMILESO=c1nc(-c2nccs2)c2c(=O)nc(-c3cccs3)c1=2
InChIInChI=1S/C13H5N3O2S2/c17-11-7-8(10(16-11)13-14-3-5-20-13)12(18)15-9(7)6-2-1-4-19-6/h1-5H
InChIKeyZLKZRZQDOMTDNL-UHFFFAOYSA-N
XLogP1.65
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,3-thiazole
CID 173428603
2-chloro-N-[6-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrimidin-4-yl]acetamide
CID 59840919
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
2,3-dithiophen-2-ylpyrido[2,3-b]pyrazine
CID 4638749
3-thiophen-2-ylpyrazine-2-carboxylic acid
CID 82470252
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2,3,5-trichloro-6-thiophen-2-ylpyridine
CID 102752496
5-bromo-4,6-dithiophen-2-ylpyrimidine
CID 134693324
2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one
CID 3965196
2-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 143781009
3-nitro-2-thiophen-2-ylpyridine
CID 71249233
5-(2-chloroethyl)-2,4-dithiophen-2-yl-1,3-thiazole
CID 28709881

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione?
The IUPAC name of 4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione (CID 132551703) is 4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione is O=c1nc(-c2nccs2)c2c(=O)nc(-c3cccs3)c1=2.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione?
The InChIKey is ZLKZRZQDOMTDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5N3O2S2/c17-11-7-8(10(16-11)13-14-3-5-20-13)12(18)15-9(7)6-2-1-4-19-6/h1-5H.
What are the key properties of 4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione?
4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione has a molecular weight of 299.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione is sourced from PubChem (CID 132551703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).