2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C23H30N6O3S — CID 70918488

IUPAC2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCCN(C)CC(=O)Nc1cccc(NC=c2sc(=C(C#N)C(=O)NCC)n(CC)c2=O)c1
InChIInChI=1S/C23H30N6O3S/c1-5-11-28(4)15-20(30)27-17-10-8-9-16(12-17)26-14-19-22(32)29(7-3)23(33-19)18(13-24)21(31)25-6-2/h8-10,12,14,26H,5-7,11,15H2,1-4H3,(H,25,31)(H,27,30)
InChIKeyBXLCKJUACSIJMQ-UHFFFAOYSA-N
MW470.60 g/mol
LogP0.87
Rot. Bonds10

About 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 70918488) has the molecular formula C23H30N6O3S and a molecular weight of 470.60 g/mol. Its IUPAC name is 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID70918488
Molecular FormulaC23H30N6O3S
Molecular Weight470.60 g/mol
Exact Mass470.21
IUPAC Name2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCCN(C)CC(=O)Nc1cccc(NC=c2sc(=C(C#N)C(=O)NCC)n(CC)c2=O)c1
InChIInChI=1S/C23H30N6O3S/c1-5-11-28(4)15-20(30)27-17-10-8-9-16(12-17)26-14-19-22(32)29(7-3)23(33-19)18(13-24)21(31)25-6-2/h8-10,12,14,26H,5-7,11,15H2,1-4H3,(H,25,31)(H,27,30)
InChIKeyBXLCKJUACSIJMQ-UHFFFAOYSA-N
XLogP0.87
TPSA119.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 70918488) is 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCCN(C)CC(=O)Nc1cccc(NC=c2sc(=C(C#N)C(=O)NCC)n(CC)c2=O)c1.
What is the InChIKey of 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is BXLCKJUACSIJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3S/c1-5-11-28(4)15-20(30)27-17-10-8-9-16(12-17)26-14-19-22(32)29(7-3)23(33-19)18(13-24)21(31)25-6-2/h8-10,12,14,26H,5-7,11,15H2,1-4H3,(H,25,31)(H,27,30).
What are the key properties of 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 470.60 g/mol, XLogP of 0.87, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-2-[3-ethyl-5-[[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 70918488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).