(NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide

C18H15N3O3S2 — CID 135589793

IUPAC(NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2/NC(=O)/C(=C/C=C/c3ccccn3)S2)cc1
InChIInChI=1S/C18H15N3O3S2/c1-13-8-10-15(11-9-13)26(23,24)21-18-20-17(22)16(25-18)7-4-6-14-5-2-3-12-19-14/h2-12H,1H3,(H,20,21,22)/b6-4+,16-7-
InChIKeyHWCKLZYTXXXJQS-ZGCWVLQWSA-N
MW385.47 g/mol
LogP2.90
Rot. Bonds4

About (NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide

(NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide (PubChem CID 135589793) has the molecular formula C18H15N3O3S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide
PubChem CID135589793
Molecular FormulaC18H15N3O3S2
Molecular Weight385.47 g/mol
Exact Mass385.06
IUPAC Name(NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2/NC(=O)/C(=C/C=C/c3ccccn3)S2)cc1
InChIInChI=1S/C18H15N3O3S2/c1-13-8-10-15(11-9-13)26(23,24)21-18-20-17(22)16(25-18)7-4-6-14-5-2-3-12-19-14/h2-12H,1H3,(H,20,21,22)/b6-4+,16-7-
InChIKeyHWCKLZYTXXXJQS-ZGCWVLQWSA-N
XLogP2.90
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide with MolForge

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Related Compounds

Resminostat
CID 11609955
N-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 2029569
N-[4-[5-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-3-pyridinyl]phenyl]methanesulfonamide
CID 155512072
2-(Phenylimino)-5-(3-pyridinylmethylene)-1,3-thiazolidin-4-one
CID 135460418
(2E,5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2-(pyridin-3-ylimino)-1,3-thiazolidin-4-one
CID 135493319
(2Z,5Z)-2-[(3-methylphenyl)imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135547125
4-methyl-N-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 6517406
(2Z,5Z)-3-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-5-(1-methyl-2-pyridinylidene)-1,3-thiazolidin-4-one;4-methylbenzenesulfonate
CID 11092278
(2Z,5E)-3-ethyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazolidin-4-one;4-methylbenzenesulfonate
CID 11813154
(5Z)-2-(4-ethylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135834866
(E)-N-[4-[4-(phenylsulfamoyl)phenyl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 155559135
(5Z)-2-anilino-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one
CID 135547118

Frequently Asked Questions

What is the IUPAC name of (NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The IUPAC name of (NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide (CID 135589793) is (NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C2/NC(=O)/C(=C/C=C/c3ccccn3)S2)cc1.
What is the InChIKey of (NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The InChIKey is HWCKLZYTXXXJQS-ZGCWVLQWSA-N. The full InChI is InChI=1S/C18H15N3O3S2/c1-13-8-10-15(11-9-13)26(23,24)21-18-20-17(22)16(25-18)7-4-6-14-5-2-3-12-19-14/h2-12H,1H3,(H,20,21,22)/b6-4+,16-7-.
What are the key properties of (NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
(NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide has a molecular weight of 385.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-methyl-N-[(5Z)-4-oxo-5-[(E)-3-pyridin-2-ylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 135589793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).