(3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione

C14H10N2O2S2 — CID 14058927

IUPAC(3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione
SMILESO=c1[nH]/c(=C\c2cccs2)c(=O)[nH]/c1=C\c1cccs1
InChIInChI=1S/C14H10N2O2S2/c17-13-11(7-9-3-1-5-19-9)15-14(18)12(16-13)8-10-4-2-6-20-10/h1-8H,(H,15,18)(H,16,17)/b11-7-,12-8-
InChIKeyJZPNSRWFKPZIFU-OXAWKVHCSA-N
MW302.38 g/mol
LogP0.84
Rot. Bonds2

About (3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione

(3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione (PubChem CID 14058927) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione
PubChem CID14058927
Molecular FormulaC14H10N2O2S2
Molecular Weight302.38 g/mol
Exact Mass302.02
IUPAC Name(3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione
SMILESO=c1[nH]/c(=C\c2cccs2)c(=O)[nH]/c1=C\c1cccs1
InChIInChI=1S/C14H10N2O2S2/c17-13-11(7-9-3-1-5-19-9)15-14(18)12(16-13)8-10-4-2-6-20-10/h1-8H,(H,15,18)(H,16,17)/b11-7-,12-8-
InChIKeyJZPNSRWFKPZIFU-OXAWKVHCSA-N
XLogP0.84
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione (CID 14058927) is (3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione is O=c1[nH]/c(=C\c2cccs2)c(=O)[nH]/c1=C\c1cccs1.
What is the InChIKey of (3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione?
The InChIKey is JZPNSRWFKPZIFU-OXAWKVHCSA-N. The full InChI is InChI=1S/C14H10N2O2S2/c17-13-11(7-9-3-1-5-19-9)15-14(18)12(16-13)8-10-4-2-6-20-10/h1-8H,(H,15,18)(H,16,17)/b11-7-,12-8-.
What are the key properties of (3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione?
(3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione has a molecular weight of 302.38 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3,6-bis(thiophen-2-ylmethylidene)piperazine-2,5-dione is sourced from PubChem (CID 14058927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).