ethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate

C20H18N4O3S2 — CID 155550874

IUPACethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(/N=C2\NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)nc1C
InChIInChI=1S/C20H18N4O3S2/c1-4-27-18(26)16-11(2)21-19(29-16)23-20-22-17(25)15(28-20)9-12-10-24(3)14-8-6-5-7-13(12)14/h5-10H,4H2,1-3H3,(H,21,22,23,25)/b15-9-
InChIKeyWVSQFFRBDKJQKI-DHDCSXOGSA-N
MW426.52 g/mol
LogP4.01
Rot. Bonds4

About ethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate (PubChem CID 155550874) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate
PubChem CID155550874
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC Nameethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(/N=C2\NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)nc1C
InChIInChI=1S/C20H18N4O3S2/c1-4-27-18(26)16-11(2)21-19(29-16)23-20-22-17(25)15(28-20)9-12-10-24(3)14-8-6-5-7-13(12)14/h5-10H,4H2,1-3H3,(H,21,22,23,25)/b15-9-
InChIKeyWVSQFFRBDKJQKI-DHDCSXOGSA-N
XLogP4.01
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[(E)-[(5Z)-5-benzylidene-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 162666017
(5E)-2-(4-methoxyphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135766111
4-[[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135465749
5-[(1-methylindol-3-yl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135491642
(2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135956788
ethyl 3-[3-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]propanoate
CID 146160796
4-methyl-2-[[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135948573
(5Z)-2-(3-hydroxyphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135529570
(5Z)-2-(4-chloro-2-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135521826
(5Z)-2-(2,3-dichlorophenyl)imino-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135444312
ethyl 2-[[5-(naphthalen-1-ylmethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-6-oxo-1H-pyrimidine-5-carboxylate
CID 135463919
2-[3-[[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
CID 135423230

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate (CID 155550874) is ethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(/N=C2\NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is WVSQFFRBDKJQKI-DHDCSXOGSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-4-27-18(26)16-11(2)21-19(29-16)23-20-22-17(25)15(28-20)9-12-10-24(3)14-8-6-5-7-13(12)14/h5-10H,4H2,1-3H3,(H,21,22,23,25)/b15-9-.
What are the key properties of ethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 426.52 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(E)-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 155550874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).