(5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C17H12N2OS3 — CID 6306761

IUPAC(5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN1c2ccccc2Sc2cc(/C=C3\SC(=S)NC3=O)ccc21
InChIInChI=1S/C17H12N2OS3/c1-19-11-4-2-3-5-13(11)22-14-8-10(6-7-12(14)19)9-15-16(20)18-17(21)23-15/h2-9H,1H3,(H,18,20,21)/b15-9-
InChIKeyOVKSOKMSQCCZAZ-DHDCSXOGSA-N
MW356.50 g/mol
LogP4.41
Rot. Bonds1

About (5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6306761) has the molecular formula C17H12N2OS3 and a molecular weight of 356.50 g/mol. Its IUPAC name is (5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6306761
Molecular FormulaC17H12N2OS3
Molecular Weight356.50 g/mol
Exact Mass356.01
IUPAC Name(5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN1c2ccccc2Sc2cc(/C=C3\SC(=S)NC3=O)ccc21
InChIInChI=1S/C17H12N2OS3/c1-19-11-4-2-3-5-13(11)22-14-8-10(6-7-12(14)19)9-15-16(20)18-17(21)23-15/h2-9H,1H3,(H,18,20,21)/b15-9-
InChIKeyOVKSOKMSQCCZAZ-DHDCSXOGSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[(5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 71769156
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
(5Z)-5-(9H-fluoren-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 167510551
5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1205554
(5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2688418
5-[[4-(4-chlorophenyl)-1,2,2,4-tetramethyl-3H-quinolin-6-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 171326113
(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-[(4-hydroxy-3-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 159654137
(5Z)-5-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118069686
(5E)-5-[[4-(4-methylphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 71570691

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6306761) is (5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is CN1c2ccccc2Sc2cc(/C=C3\SC(=S)NC3=O)ccc21.
What is the InChIKey of (5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is OVKSOKMSQCCZAZ-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H12N2OS3/c1-19-11-4-2-3-5-13(11)22-14-8-10(6-7-12(14)19)9-15-16(20)18-17(21)23-15/h2-9H,1H3,(H,18,20,21)/b15-9-.
What are the key properties of (5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 356.50 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(10-methylphenothiazin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6306761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).