1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione

C12H4N4O2S2 — CID 161233548

IUPAC1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESO=c1nc(-c2cscn2)c2c(=O)nc(-c3cscn3)c1=2
InChIInChI=1S/C12H4N4O2S2/c17-11-7-8(10(16-11)6-2-20-4-14-6)12(18)15-9(7)5-1-19-3-13-5/h1-4H
InChIKeyUZBMPEFLPBNUKK-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.04
Rot. Bonds2

About 1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione

1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione (PubChem CID 161233548) has the molecular formula C12H4N4O2S2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione.

Molecular Properties

Compound Name1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
PubChem CID161233548
Molecular FormulaC12H4N4O2S2
Molecular Weight300.32 g/mol
Exact Mass299.98
IUPAC Name1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESO=c1nc(-c2cscn2)c2c(=O)nc(-c3cscn3)c1=2
InChIInChI=1S/C12H4N4O2S2/c17-11-7-8(10(16-11)6-2-20-4-14-6)12(18)15-9(7)5-1-19-3-13-5/h1-4H
InChIKeyUZBMPEFLPBNUKK-UHFFFAOYSA-N
XLogP1.04
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The IUPAC name of 1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione (CID 161233548) is 1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione.
What is the SMILES notation for 1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The canonical SMILES for 1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione is O=c1nc(-c2cscn2)c2c(=O)nc(-c3cscn3)c1=2.
What is the InChIKey of 1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione?
The InChIKey is UZBMPEFLPBNUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4N4O2S2/c17-11-7-8(10(16-11)6-2-20-4-14-6)12(18)15-9(7)5-1-19-3-13-5/h1-4H.
What are the key properties of 1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione?
1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione has a molecular weight of 300.32 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione is sourced from PubChem (CID 161233548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).