(5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one

C15H14N4OS — CID 135635518

IUPAC(5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
SMILESCc1nn(C)cc1/C=C1/SC(=O)N/C1=N\c1ccccc1
InChIInChI=1S/C15H14N4OS/c1-10-11(9-19(2)18-10)8-13-14(17-15(20)21-13)16-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,20)/b13-8+
InChIKeyAUMCELHQYABSFW-MDWZMJQESA-N
MW298.37 g/mol
LogP3.26
Rot. Bonds2

About (5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one

(5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one (PubChem CID 135635518) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is (5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
PubChem CID135635518
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name(5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
SMILESCc1nn(C)cc1/C=C1/SC(=O)N/C1=N\c1ccccc1
InChIInChI=1S/C15H14N4OS/c1-10-11(9-19(2)18-10)8-13-14(17-15(20)21-13)16-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,20)/b13-8+
InChIKeyAUMCELHQYABSFW-MDWZMJQESA-N
XLogP3.26
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one
CID 135711750
(5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135711756
(5Z)-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135782375
(5Z)-4-(3,4-dimethylphenyl)imino-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one
CID 135782203
(5Z)-4-(4-chlorophenyl)imino-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one
CID 135782207
(5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one
CID 135634039
(5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one
CID 135782430
(5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one
CID 135711695
(5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135672066
(5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one
CID 135782371
(5Z)-5-[[3,5-dimethyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]pyrazol-4-yl]methylidene]-4-(3-fluorophenyl)imino-1,3-thiazolidin-2-one
CID 136899522
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135782284

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
The IUPAC name of (5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one (CID 135635518) is (5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one.
What is the SMILES notation for (5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
The canonical SMILES for (5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one is Cc1nn(C)cc1/C=C1/SC(=O)N/C1=N\c1ccccc1.
What is the InChIKey of (5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
The InChIKey is AUMCELHQYABSFW-MDWZMJQESA-N. The full InChI is InChI=1S/C15H14N4OS/c1-10-11(9-19(2)18-10)8-13-14(17-15(20)21-13)16-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,20)/b13-8+.
What are the key properties of (5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
(5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one has a molecular weight of 298.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135635518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).