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

C24H32N6O3S — CID 143242323

IUPAC(2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCCN(C)CC(=O)Nc1cccc(NCC=c2s/c(=C(/C#N)C(=O)NCC)n(CC)c2=O)c1
InChIInChI=1S/C24H32N6O3S/c1-5-13-29(4)16-21(31)28-18-10-8-9-17(14-18)27-12-11-20-23(33)30(7-3)24(34-20)19(15-25)22(32)26-6-2/h8-11,14,27H,5-7,12-13,16H2,1-4H3,(H,26,32)(H,28,31)/b20-11?,24-19-
InChIKeyNAJRWLYDSYMHNO-KEBVJODVSA-N
MW484.63 g/mol
LogP0.91
Rot. Bonds11

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

(2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 143242323) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID143242323
Molecular FormulaC24H32N6O3S
Molecular Weight484.63 g/mol
Exact Mass484.23
IUPAC Name(2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCCN(C)CC(=O)Nc1cccc(NCC=c2s/c(=C(/C#N)C(=O)NCC)n(CC)c2=O)c1
InChIInChI=1S/C24H32N6O3S/c1-5-13-29(4)16-21(31)28-18-10-8-9-17(14-18)27-12-11-20-23(33)30(7-3)24(34-20)19(15-25)22(32)26-6-2/h8-11,14,27H,5-7,12-13,16H2,1-4H3,(H,26,32)(H,28,31)/b20-11?,24-19-
InChIKeyNAJRWLYDSYMHNO-KEBVJODVSA-N
XLogP0.91
TPSA119.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 143242323) is (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCCN(C)CC(=O)Nc1cccc(NCC=c2s/c(=C(/C#N)C(=O)NCC)n(CC)c2=O)c1.
What is the InChIKey of (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is NAJRWLYDSYMHNO-KEBVJODVSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-5-13-29(4)16-21(31)28-18-10-8-9-17(14-18)27-12-11-20-23(33)30(7-3)24(34-20)19(15-25)22(32)26-6-2/h8-11,14,27H,5-7,12-13,16H2,1-4H3,(H,26,32)(H,28,31)/b20-11?,24-19-.
What are the key properties of (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
(2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 484.63 g/mol, XLogP of 0.91, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-N-ethyl-2-[3-ethyl-5-[2-[3-[[2-[methyl(propyl)amino]acetyl]amino]anilino]ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 143242323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).