(5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

C17H11NOS2 — CID 167510551

IUPAC(5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C17H11NOS2/c19-16-15(21-17(20)18-16)8-10-5-6-12-9-11-3-1-2-4-13(11)14(12)7-10/h1-8H,9H2,(H,18,19,20)/b15-8-
InChIKeyKEGGFYQQOMAFJT-NVNXTCNLSA-N
MW309.42 g/mol
LogP3.75
Rot. Bonds1

About (5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 167510551) has the molecular formula C17H11NOS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is (5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID167510551
Molecular FormulaC17H11NOS2
Molecular Weight309.42 g/mol
Exact Mass309.03
IUPAC Name(5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C17H11NOS2/c19-16-15(21-17(20)18-16)8-10-5-6-12-9-11-3-1-2-4-13(11)14(12)7-10/h1-8H,9H2,(H,18,19,20)/b15-8-
InChIKeyKEGGFYQQOMAFJT-NVNXTCNLSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
(5E)-5-[(3-bromophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1377507
4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
CID 6993416
(5Z)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1207359
(5Z)-5-(2,1,3-benzoxadiazol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 70684331
(5Z)-5-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118069686
(5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6306761
[2-benzoyloxy-4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate
CID 92976069
[2-benzoyloxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate
CID 6611151
(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2688418
(5E)-5-[[4-(4-methylphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 71570691
(5Z)-5-[(3-ethyl-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 155163576

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 167510551) is (5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of (5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is KEGGFYQQOMAFJT-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H11NOS2/c19-16-15(21-17(20)18-16)8-10-5-6-12-9-11-3-1-2-4-13(11)14(12)7-10/h1-8H,9H2,(H,18,19,20)/b15-8-.
What are the key properties of (5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 309.42 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 167510551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).