(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

C19H13FN2O2S2 — CID 3135104

IUPAC(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3F)c3ccccc32)SC1=S
InChIInChI=1S/C19H13FN2O2S2/c1-21-18(24)16(26-19(21)25)15-12-7-3-5-9-14(12)22(17(15)23)10-11-6-2-4-8-13(11)20/h2-9H,10H2,1H3/b16-15-
InChIKeyYGJYCARLJXRCBT-NXVVXOECSA-N
MW384.46 g/mol
LogP3.57
Rot. Bonds2

About (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 3135104) has the molecular formula C19H13FN2O2S2 and a molecular weight of 384.46 g/mol. Its IUPAC name is (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID3135104
Molecular FormulaC19H13FN2O2S2
Molecular Weight384.46 g/mol
Exact Mass384.04
IUPAC Name(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3F)c3ccccc32)SC1=S
InChIInChI=1S/C19H13FN2O2S2/c1-21-18(24)16(26-19(21)25)15-12-7-3-5-9-14(12)22(17(15)23)10-11-6-2-4-8-13(11)20/h2-9H,10H2,1H3/b16-15-
InChIKeyYGJYCARLJXRCBT-NXVVXOECSA-N
XLogP3.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.57
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'}

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Related Compounds

5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3855090
(5E)-3-[(2-chlorophenyl)methyl]-5-(1-methyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2130061
(5Z)-3-benzyl-5-(2-oxo-1-propylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6299887
3-[5-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 1324163
(5Z)-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6001211
2-[(5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
CID 2130912
1-[(2-fluorophenyl)methyl]-3-methyliminoindol-2-one
CID 142023691
methyl 6-[(5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
CID 19195872
3-butyl-5-(1-heptyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4258630
N-(2-fluorophenyl)-2-[(3E)-2-oxo-3-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide
CID 2060683
N-(3,4-dimethylphenyl)-2-[3-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide
CID 3588848
(5E)-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23861874

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 3135104) is (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one is CN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3F)c3ccccc32)SC1=S.
What is the InChIKey of (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is YGJYCARLJXRCBT-NXVVXOECSA-N. The full InChI is InChI=1S/C19H13FN2O2S2/c1-21-18(24)16(26-19(21)25)15-12-7-3-5-9-14(12)22(17(15)23)10-11-6-2-4-8-13(11)20/h2-9H,10H2,1H3/b16-15-.
What are the key properties of (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 384.46 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 3135104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).