(5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one

C19H14BrN3OS — CID 135529219

IUPAC(5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCn1c(/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)cc2ccccc21
InChIInChI=1S/C19H14BrN3OS/c1-23-15(10-12-4-2-3-5-16(12)23)11-17-18(24)22-19(25-17)21-14-8-6-13(20)7-9-14/h2-11H,1H3,(H,21,22,24)/b17-11+
InChIKeyXOOCESDEHKDLDB-GZTJUZNOSA-N
MW412.31 g/mol
LogP4.83
Rot. Bonds2

About (5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135529219) has the molecular formula C19H14BrN3OS and a molecular weight of 412.31 g/mol. Its IUPAC name is (5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135529219
Molecular FormulaC19H14BrN3OS
Molecular Weight412.31 g/mol
Exact Mass411.00
IUPAC Name(5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCn1c(/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)cc2ccccc21
InChIInChI=1S/C19H14BrN3OS/c1-23-15(10-12-4-2-3-5-16(12)23)11-17-18(24)22-19(25-17)21-14-8-6-13(20)7-9-14/h2-11H,1H3,(H,21,22,24)/b17-11+
InChIKeyXOOCESDEHKDLDB-GZTJUZNOSA-N
XLogP4.83
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(1-methylindol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135523528
2-(4-bromophenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135463852
(5Z)-2-(4-bromophenyl)imino-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 137044561
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492
(5E)-2-(4-bromophenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135781935
(5E)-5-[(1,2-dimethylindol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137118450
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
CID 135782014
(5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135761059
5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135487160
(5Z)-5-[(1-benzylindol-3-yl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
CID 137155688
(5Z)-2-(4-bromophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135504595
2-(4-bromophenyl)imino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135525046

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 135529219) is (5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one is Cn1c(/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)cc2ccccc21.
What is the InChIKey of (5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is XOOCESDEHKDLDB-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H14BrN3OS/c1-23-15(10-12-4-2-3-5-16(12)23)11-17-18(24)22-19(25-17)21-14-8-6-13(20)7-9-14/h2-11H,1H3,(H,21,22,24)/b17-11+.
What are the key properties of (5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 412.31 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-bromophenyl)imino-5-[(1-methylindol-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135529219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).