2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one

C20H16ClN3OS — CID 135514974

IUPAC2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1c(C=C2S/C(=N/c3ccccc3Cl)NC2=O)c2ccccc2n1C
InChIInChI=1S/C20H16ClN3OS/c1-12-14(13-7-3-6-10-17(13)24(12)2)11-18-19(25)23-20(26-18)22-16-9-5-4-8-15(16)21/h3-11H,1-2H3,(H,22,23,25)
InChIKeyMVCHPSJUWMUCML-UHFFFAOYSA-N
MW381.89 g/mol
LogP5.03
Rot. Bonds2

About 2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one

2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135514974) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135514974
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC Name2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1c(C=C2S/C(=N/c3ccccc3Cl)NC2=O)c2ccccc2n1C
InChIInChI=1S/C20H16ClN3OS/c1-12-14(13-7-3-6-10-17(13)24(12)2)11-18-19(25)23-20(26-18)22-16-9-5-4-8-15(16)21/h3-11H,1-2H3,(H,22,23,25)
InChIKeyMVCHPSJUWMUCML-UHFFFAOYSA-N
XLogP5.03
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.89
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 137071848
(5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137118450
(5Z)-5-[(1-benzyl-2-methylindol-3-yl)methylidene]-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 137101704
(5E)-5-[(1-benzyl-2-methylindol-3-yl)methylidene]-2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137136548
(5Z)-2-(2,3-dichlorophenyl)imino-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135444312
(5Z)-2-(2-chlorophenyl)imino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490668
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[[1-[(3-fluorophenyl)methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidin-4-one
CID 137064811
(5Z)-2-(2-chlorophenyl)imino-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 135498867
2-(2-chlorophenyl)imino-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135523477
2-(2-chlorophenyl)imino-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486647
2-(2-chlorophenyl)imino-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135531809
(5E)-2-(2-chlorophenyl)imino-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135442979

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one (CID 135514974) is 2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one is Cc1c(C=C2S/C(=N/c3ccccc3Cl)NC2=O)c2ccccc2n1C.
What is the InChIKey of 2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is MVCHPSJUWMUCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c1-12-14(13-7-3-6-10-17(13)24(12)2)11-18-19(25)23-20(26-18)22-16-9-5-4-8-15(16)21/h3-11H,1-2H3,(H,22,23,25).
What are the key properties of 2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 381.89 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)imino-5-[(1,2-dimethylindol-3-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135514974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).