2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C15H14ClN5O2S — CID 168576662

IUPAC2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=NN=C2NC(=O)CS2)cc1Cn1cc(Cl)cn1
InChIInChI=1S/C15H14ClN5O2S/c1-23-13-3-2-10(5-17-20-15-19-14(22)9-24-15)4-11(13)7-21-8-12(16)6-18-21/h2-6,8H,7,9H2,1H3,(H,19,20,22)
InChIKeyAXDBKKGSVLIMBH-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.15
Rot. Bonds5

About 2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576662) has the molecular formula C15H14ClN5O2S and a molecular weight of 363.83 g/mol. Its IUPAC name is 2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576662
Molecular FormulaC15H14ClN5O2S
Molecular Weight363.83 g/mol
Exact Mass363.06
IUPAC Name2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=NN=C2NC(=O)CS2)cc1Cn1cc(Cl)cn1
InChIInChI=1S/C15H14ClN5O2S/c1-23-13-3-2-10(5-17-20-15-19-14(22)9-24-15)4-11(13)7-21-8-12(16)6-18-21/h2-6,8H,7,9H2,1H3,(H,19,20,22)
InChIKeyAXDBKKGSVLIMBH-UHFFFAOYSA-N
XLogP2.15
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-[(4-methoxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576131
2-[[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573960
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
2-[(Z)-(3-ethoxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136663997
3-[(4-chloropyrazol-1-yl)methyl]-4-methoxybenzaldehyde
CID 3589177
[2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate
CID 168573950
2-[[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576641
2-[[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573940
4-methoxy-3-[[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]methyl]benzaldehyde
CID 168575463
2-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576623
2-[[4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573938
2-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576315

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576662) is 2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(C=NN=C2NC(=O)CS2)cc1Cn1cc(Cl)cn1.
What is the InChIKey of 2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is AXDBKKGSVLIMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2S/c1-23-13-3-2-10(5-17-20-15-19-14(22)9-24-15)4-11(13)7-21-8-12(16)6-18-21/h2-6,8H,7,9H2,1H3,(H,19,20,22).
What are the key properties of 2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 363.83 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).