(2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

C12H12ClN3OS2 — CID 135465341

IUPAC(2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\N=C\CSc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C12H12ClN3OS2/c1-8-11(17)15-12(19-8)16-14-6-7-18-10-4-2-9(13)3-5-10/h2-6,8H,7H2,1H3,(H,15,16,17)/b14-6+
InChIKeyZKHDBSVVCBVHBJ-MKMNVTDBSA-N
MW313.84 g/mol
LogP3.03
Rot. Bonds4

About (2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135465341) has the molecular formula C12H12ClN3OS2 and a molecular weight of 313.84 g/mol. Its IUPAC name is (2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
PubChem CID135465341
Molecular FormulaC12H12ClN3OS2
Molecular Weight313.84 g/mol
Exact Mass313.01
IUPAC Name(2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\N=C\CSc2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C12H12ClN3OS2/c1-8-11(17)15-12(19-8)16-14-6-7-18-10-4-2-9(13)3-5-10/h2-6,8H,7H2,1H3,(H,15,16,17)/b14-6+
InChIKeyZKHDBSVVCBVHBJ-MKMNVTDBSA-N
XLogP3.03
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.84
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135935638
5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136871961
(2Z,5S)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136822476
2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one
CID 135857052
(2E)-2-(benzylidenehydrazinylidene)-5-methyl-1,3-thiazolidin-4-one
CID 135872888
2-[(E)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 137224715
2-[(Z)-benzylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136678200
(2Z)-2-[(E)-(2-fluorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135426041
(2Z,5S)-5-methyl-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135852057
(2E)-5-methyl-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135925722
[3-[[(Z)-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 4-chlorobenzenesulfonate
CID 135711081
(2Z,5R)-5-methyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135881306

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (CID 135465341) is (2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is CC1S/C(=N\N=C\CSc2ccc(Cl)cc2)NC1=O.
What is the InChIKey of (2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is ZKHDBSVVCBVHBJ-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H12ClN3OS2/c1-8-11(17)15-12(19-8)16-14-6-7-18-10-4-2-9(13)3-5-10/h2-6,8H,7H2,1H3,(H,15,16,17)/b14-6+.
What are the key properties of (2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 313.84 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135465341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).