2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one

C13H10N4OS — CID 171128182

IUPAC2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(=Cc2cn[nH]c2-c2ccccc2)S1
InChIInChI=1S/C13H10N4OS/c14-13-16-12(18)10(19-13)6-9-7-15-17-11(9)8-4-2-1-3-5-8/h1-7H,(H,15,17)(H2,14,16,18)
InChIKeyMGFUXLRKCOWYPD-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.22
Rot. Bonds2

About 2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one

2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 171128182) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID171128182
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(=Cc2cn[nH]c2-c2ccccc2)S1
InChIInChI=1S/C13H10N4OS/c14-13-16-12(18)10(19-13)6-9-7-15-17-11(9)8-4-2-1-3-5-8/h1-7H,(H,15,17)(H2,14,16,18)
InChIKeyMGFUXLRKCOWYPD-UHFFFAOYSA-N
XLogP2.22
TPSA81.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 171128800
2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1-benzothiophen-3-one
CID 2859345
(5E)-2-imino-5-[(5-methyl-1,2-diphenylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 154792609
(5Z)-2-morpholin-4-yl-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one
CID 751908
2-(4-methylpiperidin-1-yl)-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one
CID 1402609
5-[(2-ethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171127950
(5Z)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4-one
CID 7066302
(5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154735586
4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
CID 137244728
(5Z)-5-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 138376612
(5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 168510639
(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 86206726

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one (CID 171128182) is 2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)C(=Cc2cn[nH]c2-c2ccccc2)S1.
What is the InChIKey of 2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is MGFUXLRKCOWYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c14-13-16-12(18)10(19-13)6-9-7-15-17-11(9)8-4-2-1-3-5-8/h1-7H,(H,15,17)(H2,14,16,18).
What are the key properties of 2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 270.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 171128182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).