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

C13H6Cl2N2OS3 — CID 58643980

IUPAC(5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cnc(-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C13H6Cl2N2OS3/c14-6-1-2-8(9(15)3-6)12-16-5-7(20-12)4-10-11(18)17-13(19)21-10/h1-5H,(H,17,18,19)/b10-4-
InChIKeyJUODIXNQYBECOE-WMZJFQQLSA-N
MW373.31 g/mol
LogP4.61
Rot. Bonds2

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

(5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 58643980) has the molecular formula C13H6Cl2N2OS3 and a molecular weight of 373.31 g/mol. Its IUPAC name is (5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID58643980
Molecular FormulaC13H6Cl2N2OS3
Molecular Weight373.31 g/mol
Exact Mass371.90
IUPAC Name(5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cnc(-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C13H6Cl2N2OS3/c14-6-1-2-8(9(15)3-6)12-16-5-7(20-12)4-10-11(18)17-13(19)21-10/h1-5H,(H,17,18,19)/b10-4-
InChIKeyJUODIXNQYBECOE-WMZJFQQLSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.61
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

(5Z)-5-[(2,5-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6243032
(5Z)-5-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58643002
(5E)-5-[(4-chloro-1-methylpyrazol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19618232
(5Z)-5-[[1-(3-chlorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 150847868
(5Z)-5-[[3-(2,4-dichlorophenyl)-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 58643212
2-(2,4-dichlorophenyl)-1,3-thiazole-5-carbothioamide
CID 82424314
(5Z)-5-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2290961
(5Z)-5-(1-benzothiophen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19374987
5-[(5-chloro-2-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 57374075
5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3103730
5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 75267623
5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2902036

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 58643980) is (5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1cnc(-c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of (5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is JUODIXNQYBECOE-WMZJFQQLSA-N. The full InChI is InChI=1S/C13H6Cl2N2OS3/c14-6-1-2-8(9(15)3-6)12-16-5-7(20-12)4-10-11(18)17-13(19)21-10/h1-5H,(H,17,18,19)/b10-4-.
What are the key properties of (5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 373.31 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 58643980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).