(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one

C20H18BrNO2S2 — CID 6036943

IUPAC(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1C1CCCCC1
InChIInChI=1S/C20H18BrNO2S2/c21-14-8-6-13(7-9-14)17-11-10-16(24-17)12-18-19(23)22(20(25)26-18)15-4-2-1-3-5-15/h6-12,15H,1-5H2/b18-12-
InChIKeyCSTAOLMAVXWWKV-PDGQHHTCSA-N
MW448.41 g/mol
LogP6.24
Rot. Bonds3

About (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6036943) has the molecular formula C20H18BrNO2S2 and a molecular weight of 448.41 g/mol. Its IUPAC name is (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6036943
Molecular FormulaC20H18BrNO2S2
Molecular Weight448.41 g/mol
Exact Mass447.00
IUPAC Name(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1C1CCCCC1
InChIInChI=1S/C20H18BrNO2S2/c21-14-8-6-13(7-9-14)17-11-10-16(24-17)12-18-19(23)22(20(25)26-18)15-4-2-1-3-5-15/h6-12,15H,1-5H2/b18-12-
InChIKeyCSTAOLMAVXWWKV-PDGQHHTCSA-N
XLogP6.24
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.41
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one 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

(5E)-3-cyclooctyl-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 87453044
3-cyclohexyl-5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 74830408
5-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 73462903
(5E)-5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50870472
(5Z)-3-cycloheptyl-5-[(5-pyridin-3-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 59571827
2-chloro-5-[5-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 2915204
3-[5-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 5341905
(5Z)-3-cyclohexyl-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 2177040
(5Z)-3-cyclopentyl-5-[[5-(2,3-difluoro-6-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 89491285
4-[(5E)-5-[[5-(4-methylsulfanylphenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]cyclohexane-1-carboxylic acid
CID 24775363
3-[5-[[5-(4-methylsulfanylphenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]cyclohexane-1-carboxylic acid
CID 87468253
3-[[(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18846621

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6036943) is (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1C1CCCCC1.
What is the InChIKey of (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is CSTAOLMAVXWWKV-PDGQHHTCSA-N. The full InChI is InChI=1S/C20H18BrNO2S2/c21-14-8-6-13(7-9-14)17-11-10-16(24-17)12-18-19(23)22(20(25)26-18)15-4-2-1-3-5-15/h6-12,15H,1-5H2/b18-12-.
What are the key properties of (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 448.41 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6036943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).