5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one

C31H35N3OS — CID 5025668

IUPAC5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2cn(Cc3ccccc3)c3ccccc23)S/C(=N\C2CCCCC2)N1C1CCCCC1
InChIInChI=1S/C31H35N3OS/c35-30-29(36-31(32-25-14-6-2-7-15-25)34(30)26-16-8-3-9-17-26)20-24-22-33(21-23-12-4-1-5-13-23)28-19-11-10-18-27(24)28/h1,4-5,10-13,18-20,22,25-26H,2-3,6-9,14-17,21H2/b29-20?,32-31-
InChIKeyRHUBRIDAQSCWAK-HUQVOIRDSA-N
MW497.71 g/mol
LogP7.63
Rot. Bonds5

About 5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one

5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one (PubChem CID 5025668) has the molecular formula C31H35N3OS and a molecular weight of 497.71 g/mol. Its IUPAC name is 5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
PubChem CID5025668
Molecular FormulaC31H35N3OS
Molecular Weight497.71 g/mol
Exact Mass497.25
IUPAC Name5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2cn(Cc3ccccc3)c3ccccc23)S/C(=N\C2CCCCC2)N1C1CCCCC1
InChIInChI=1S/C31H35N3OS/c35-30-29(36-31(32-25-14-6-2-7-15-25)34(30)26-16-8-3-9-17-26)20-24-22-33(21-23-12-4-1-5-13-23)28-19-11-10-18-27(24)28/h1,4-5,10-13,18-20,22,25-26H,2-3,6-9,14-17,21H2/b29-20?,32-31-
InChIKeyRHUBRIDAQSCWAK-HUQVOIRDSA-N
XLogP7.63
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.71
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one with MolForge

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Related Compounds

2-[3-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetic acid
CID 3892539
2-[3-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetonitrile
CID 5186244
ethyl 2-[3-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetate
CID 3917280
(5Z)-3-cyclohexyl-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 98105743
(5E)-3-cyclohexyl-5-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126207040
(5Z)-5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexylimidazolidine-2,4-dione
CID 44713943
(5Z)-5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 44713939
3-cyclohexyl-2-cyclohexylimino-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 3896653
3-cyclohexyl-2-cyclohexylimino-5-[(2-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 3672696
5-[(1-benzylindol-3-yl)methylidene]-1-cyclohexyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1388076
5-[(1-benzyl-5-bromoindol-3-yl)methylidene]-3-cyclohexyl-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 4195050
3-cyclohexyl-2-cyclohexylimino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 3911629

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one (CID 5025668) is 5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one is O=C1C(=Cc2cn(Cc3ccccc3)c3ccccc23)S/C(=N\C2CCCCC2)N1C1CCCCC1.
What is the InChIKey of 5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one?
The InChIKey is RHUBRIDAQSCWAK-HUQVOIRDSA-N. The full InChI is InChI=1S/C31H35N3OS/c35-30-29(36-31(32-25-14-6-2-7-15-25)34(30)26-16-8-3-9-17-26)20-24-22-33(21-23-12-4-1-5-13-23)28-19-11-10-18-27(24)28/h1,4-5,10-13,18-20,22,25-26H,2-3,6-9,14-17,21H2/b29-20?,32-31-.
What are the key properties of 5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one?
5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one has a molecular weight of 497.71 g/mol, XLogP of 7.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzylindol-3-yl)methylidene]-3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 5025668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).