2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one

C18H13ClN4O3S — CID 172694877

IUPAC2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2=NN=C2C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C18H13ClN4O3S/c1-26-12-5-3-11(4-6-12)23-15(24)9-27-18(23)22-21-16-13-8-10(19)2-7-14(13)20-17(16)25/h2-8H,9H2,1H3,(H,20,21,25)
InChIKeyCELSWQYZUAYWCR-UHFFFAOYSA-N
MW400.85 g/mol
LogP3.14
Rot. Bonds3

About 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one

2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 172694877) has the molecular formula C18H13ClN4O3S and a molecular weight of 400.85 g/mol. Its IUPAC name is 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID172694877
Molecular FormulaC18H13ClN4O3S
Molecular Weight400.85 g/mol
Exact Mass400.04
IUPAC Name2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2=NN=C2C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C18H13ClN4O3S/c1-26-12-5-3-11(4-6-12)23-15(24)9-27-18(23)22-21-16-13-8-10(19)2-7-14(13)20-17(16)25/h2-8H,9H2,1H3,(H,20,21,25)
InChIKeyCELSWQYZUAYWCR-UHFFFAOYSA-N
XLogP3.14
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 172865253
3-(4-tert-butylphenyl)-2-[(5-methyl-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 172741720
(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 177407444
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 2140708
(2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135515217
(3E)-5-chloro-3-piperidin-1-ylimino-1H-indol-2-one
CID 135689178
(3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one
CID 172921472
5-bromo-3-(4-methoxyphenyl)imino-1H-indol-2-one
CID 135400370
2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4248077
5-chloro-3-[4-(2,4-dichlorophenoxy)phenyl]imino-1H-indol-2-one
CID 135559269
(3Z)-5-chloro-3-[(E)-1-(10H-phenothiazin-2-yl)ethylidenehydrazinylidene]-1H-indol-2-one
CID 172638817
(2E)-5-methyl-3-(4-methylphenyl)-2-[(E)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135503853

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 172694877) is 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2=NN=C2C(=O)Nc3ccc(Cl)cc32)cc1.
What is the InChIKey of 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is CELSWQYZUAYWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3S/c1-26-12-5-3-11(4-6-12)23-15(24)9-27-18(23)22-21-16-13-8-10(19)2-7-14(13)20-17(16)25/h2-8H,9H2,1H3,(H,20,21,25).
What are the key properties of 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 400.85 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 172694877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).