(5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C17H8F6N2OS2 — CID 58642543

IUPAC(5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H8F6N2OS2/c18-16(19,20)9-4-8(5-10(6-9)17(21,22)23)12-3-1-2-11(24-12)7-13-14(26)25-15(27)28-13/h1-7H,(H,25,26,27)/b13-7-
InChIKeyWNLXFACWHFOASJ-QPEQYQDCSA-N
MW434.39 g/mol
LogP5.28
Rot. Bonds2

About (5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 58642543) has the molecular formula C17H8F6N2OS2 and a molecular weight of 434.39 g/mol. Its IUPAC name is (5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID58642543
Molecular FormulaC17H8F6N2OS2
Molecular Weight434.39 g/mol
Exact Mass434.00
IUPAC Name(5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H8F6N2OS2/c18-16(19,20)9-4-8(5-10(6-9)17(21,22)23)12-3-1-2-11(24-12)7-13-14(26)25-15(27)28-13/h1-7H,(H,25,26,27)/b13-7-
InChIKeyWNLXFACWHFOASJ-QPEQYQDCSA-N
XLogP5.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.39
LogP ≤ 55.28
H-Bond Donors ≤ 51
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-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-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)-5-[[6-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 54603528
(5Z)-5-[[6-(1,7-naphthyridin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58642480
2-[[(5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]acetic acid
CID 58642041
(5Z)-5-[[4-methoxy-3-[3-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118069681
2-[[2-[[(5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]acetyl]amino]acetic acid
CID 58642911
5-[[6-(4-methyl-2-oxo-1H-quinolin-3-yl)-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 91313295
(5Z)-5-[[6-[3-(cyclopropylmethylamino)quinoxalin-2-yl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58643518
5-[(2,6-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4131394
(5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 10150584
(5Z)-5-[[3-[3-chloro-4-(trifluoromethyl)phenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58644048
5-[(4-phenylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 47298359
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 58642543) is (5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1.
What is the InChIKey of (5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WNLXFACWHFOASJ-QPEQYQDCSA-N. The full InChI is InChI=1S/C17H8F6N2OS2/c18-16(19,20)9-4-8(5-10(6-9)17(21,22)23)12-3-1-2-11(24-12)7-13-14(26)25-15(27)28-13/h1-7H,(H,25,26,27)/b13-7-.
What are the key properties of (5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 434.39 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 58642543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).