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

C10H8N2O2S — CID 166628731

IUPAC(6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione
SMILESC=c1[nH]c(=O)/c(=C/c2ccsc2)[nH]c1=O
InChIInChI=1S/C10H8N2O2S/c1-6-9(13)12-8(10(14)11-6)4-7-2-3-15-5-7/h2-5H,1H2,(H,11,14)(H,12,13)/b8-4-
InChIKeyGAAXEQSUDHMJGT-YWEYNIOJSA-N
MW220.25 g/mol
LogP-0.64
Rot. Bonds1

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

(6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione (PubChem CID 166628731) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is (6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione
PubChem CID166628731
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name(6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione
SMILESC=c1[nH]c(=O)/c(=C/c2ccsc2)[nH]c1=O
InChIInChI=1S/C10H8N2O2S/c1-6-9(13)12-8(10(14)11-6)4-7-2-3-15-5-7/h2-5H,1H2,(H,11,14)(H,12,13)/b8-4-
InChIKeyGAAXEQSUDHMJGT-YWEYNIOJSA-N
XLogP-0.64
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5E)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
CID 697088
5-(3-Thienylmethylene)-2,4-imidazolidinedione
CID 697090
2,4-Imidazolidinedione, 5-(3-thienylmethylene)-
CID 4065669
1-Piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one
CID 53912339
(E)-1-piperazin-1-yl-3-thiophen-3-ylprop-2-en-1-one
CID 70591555
(3Z)-1-acetyl-3-(thiophen-3-ylmethylidene)piperazine-2,5-dione
CID 11218905
N,N-dimethyl-2-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]acetamide
CID 32543641
N,N-dimethyl-2-[4-(3-thiophen-3-ylprop-2-enoyl)piperazin-1-yl]acetamide
CID 72070896
(6Z)-3-sulfanylidene-6-[(E)-3-thiophen-2-ylprop-2-enylidene]piperazine-2,5-dione
CID 73504487
(3E)-1-acetyl-3-(thiophen-3-ylmethylidene)piperazine-2,5-dione
CID 177437099

Frequently Asked Questions

What is the IUPAC name of (6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione?
The IUPAC name of (6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione (CID 166628731) is (6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione.
What is the SMILES notation for (6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione?
The canonical SMILES for (6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione is C=c1[nH]c(=O)/c(=C/c2ccsc2)[nH]c1=O.
What is the InChIKey of (6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione?
The InChIKey is GAAXEQSUDHMJGT-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-9(13)12-8(10(14)11-6)4-7-2-3-15-5-7/h2-5H,1H2,(H,11,14)(H,12,13)/b8-4-.
What are the key properties of (6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione?
(6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione has a molecular weight of 220.25 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-methylidene-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione is sourced from PubChem (CID 166628731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).