(5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C16H11N2O2S3- — CID 143271271

IUPAC(5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cc(N[O-])ccc1Sc1ccccc1
InChIInChI=1S/C16H11N2O2S3/c19-15-14(23-16(21)17-15)9-10-8-11(18-20)6-7-13(10)22-12-4-2-1-3-5-12/h1-9,18H,(H,17,19,21)/q-1/b14-9-
InChIKeyHVPWETYTQBDGJM-ZROIWOOFSA-N
MW359.48 g/mol
LogP4.24
Rot. Bonds4

About (5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 143271271) has the molecular formula C16H11N2O2S3- and a molecular weight of 359.48 g/mol. Its IUPAC name is (5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID143271271
Molecular FormulaC16H11N2O2S3-
Molecular Weight359.48 g/mol
Exact Mass359.00
IUPAC Name(5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cc(N[O-])ccc1Sc1ccccc1
InChIInChI=1S/C16H11N2O2S3/c19-15-14(23-16(21)17-15)9-10-8-11(18-20)6-7-13(10)22-12-4-2-1-3-5-12/h1-9,18H,(H,17,19,21)/q-1/b14-9-
InChIKeyHVPWETYTQBDGJM-ZROIWOOFSA-N
XLogP4.24
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1238544
5-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2747648
5-[[2-(2-chlorophenyl)sulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139661577
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
(5E)-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2302246
5-[(2-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3785989
5-[(4-phenylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 47298359
(5Z)-5-[[2-(methylaminooxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 142878617
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1206905
(5Z)-5-[[2-(difluoromethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7946615
(5E)-5-[(3-chloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122580024
5-[(2-cyclohexylsulfanyl-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4303664

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 143271271) is (5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1cc(N[O-])ccc1Sc1ccccc1.
What is the InChIKey of (5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is HVPWETYTQBDGJM-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H11N2O2S3/c19-15-14(23-16(21)17-15)9-10-8-11(18-20)6-7-13(10)22-12-4-2-1-3-5-12/h1-9,18H,(H,17,19,21)/q-1/b14-9-.
What are the key properties of (5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 359.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(oxidoamino)-2-phenylsulfanylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 143271271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).