(2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H17N5O2S — CID 135674822

IUPAC(2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\NC(=O)[C@H](C)S1)c1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C16H17N5O2S/c1-9(18-19-16-17-14(22)11(3)24-16)13-10(2)20-21(15(13)23)12-7-5-4-6-8-12/h4-8,11,20H,1-3H3,(H,17,19,22)/b18-9+/t11-/m0/s1
InChIKeySFHVNKVGBGXFCA-KECVIQKOSA-N
MW343.41 g/mol
LogP1.81
Rot. Bonds3

About (2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135674822) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is (2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135674822
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name(2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\NC(=O)[C@H](C)S1)c1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C16H17N5O2S/c1-9(18-19-16-17-14(22)11(3)24-16)13-10(2)20-21(15(13)23)12-7-5-4-6-8-12/h4-8,11,20H,1-3H3,(H,17,19,22)/b18-9+/t11-/m0/s1
InChIKeySFHVNKVGBGXFCA-KECVIQKOSA-N
XLogP1.81
TPSA91.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(5R)-5-methyl-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 137195595
(2Z,5S)-5-methyl-2-[(E)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136822477
(2Z,5R)-5-methyl-2-[(Z)-1-(4-methylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135851403
(2Z,5R)-2-[(Z)-1-(furan-2-yl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135900795
(2E,5R)-5-methyl-2-[(E)-1-naphthalen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136728737
(2Z)-5-methyl-2-(propan-2-ylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135941737
(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
5-methyl-4-[N-[2-[[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-phenylmethylidene]amino]ethyl]-C-phenylcarbonimidoyl]-2-phenyl-1H-pyrazol-3-one
CID 3641993
4-[(E)-3-chlorobut-2-enoyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 6165996
4-[N-(2-aminophenyl)-C-phenylcarbonimidoyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 135948754

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135674822) is (2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N\N=C1\NC(=O)[C@H](C)S1)c1c(C)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of (2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SFHVNKVGBGXFCA-KECVIQKOSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-9(18-19-16-17-14(22)11(3)24-16)13-10(2)20-21(15(13)23)12-7-5-4-6-8-12/h4-8,11,20H,1-3H3,(H,17,19,22)/b18-9+/t11-/m0/s1.
What are the key properties of (2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 343.41 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-5-methyl-2-[(E)-1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135674822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).