(3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione

C23H24N4O2S2 — CID 67697188

IUPAC(3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione
SMILESCc1[nH]c2ccccc2c1/C=c1\[nH]c(=O)/c(=C/c2ccc(SCCN(C)C)s2)[nH]c1=O
InChIInChI=1S/C23H24N4O2S2/c1-14-17(16-6-4-5-7-18(16)24-14)13-20-23(29)25-19(22(28)26-20)12-15-8-9-21(31-15)30-11-10-27(2)3/h4-9,12-13,24H,10-11H2,1-3H3,(H,25,29)(H,26,28)/b19-12-,20-13-
InChIKeyFDFAHYKMGQWDEB-YXZJEIOKSA-N
MW452.61 g/mol
LogP2.23
Rot. Bonds6

About (3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione

(3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione (PubChem CID 67697188) has the molecular formula C23H24N4O2S2 and a molecular weight of 452.61 g/mol. Its IUPAC name is (3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione
PubChem CID67697188
Molecular FormulaC23H24N4O2S2
Molecular Weight452.61 g/mol
Exact Mass452.13
IUPAC Name(3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione
SMILESCc1[nH]c2ccccc2c1/C=c1\[nH]c(=O)/c(=C/c2ccc(SCCN(C)C)s2)[nH]c1=O
InChIInChI=1S/C23H24N4O2S2/c1-14-17(16-6-4-5-7-18(16)24-14)13-20-23(29)25-19(22(28)26-20)12-15-8-9-21(31-15)30-11-10-27(2)3/h4-9,12-13,24H,10-11H2,1-3H3,(H,25,29)(H,26,28)/b19-12-,20-13-
InChIKeyFDFAHYKMGQWDEB-YXZJEIOKSA-N
XLogP2.23
TPSA84.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.61
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione (CID 67697188) is (3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione is Cc1[nH]c2ccccc2c1/C=c1\[nH]c(=O)/c(=C/c2ccc(SCCN(C)C)s2)[nH]c1=O.
What is the InChIKey of (3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione?
The InChIKey is FDFAHYKMGQWDEB-YXZJEIOKSA-N. The full InChI is InChI=1S/C23H24N4O2S2/c1-14-17(16-6-4-5-7-18(16)24-14)13-20-23(29)25-19(22(28)26-20)12-15-8-9-21(31-15)30-11-10-27(2)3/h4-9,12-13,24H,10-11H2,1-3H3,(H,25,29)(H,26,28)/b19-12-,20-13-.
What are the key properties of (3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione?
(3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione has a molecular weight of 452.61 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-[[5-[2-(dimethylamino)ethylsulfanyl]thiophen-2-yl]methylidene]-6-[(2-methyl-1H-indol-3-yl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 67697188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).