(5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one

C18H18N4OS — CID 135885799

IUPAC(5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCCC2)S/C1=C\c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H18N4OS/c23-17-16(24-18(21-17)20-14-6-4-5-7-14)10-13-11-19-22(12-13)15-8-2-1-3-9-15/h1-3,8-12,14H,4-7H2,(H,20,21,23)/b16-10-
InChIKeyHQLXAISYYUNQJQ-YBEGLDIGSA-N
MW338.44 g/mol
LogP3.37
Rot. Bonds3

About (5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135885799) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is (5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135885799
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name(5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\C2CCCC2)S/C1=C\c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H18N4OS/c23-17-16(24-18(21-17)20-14-6-4-5-7-14)10-13-11-19-22(12-13)15-8-2-1-3-9-15/h1-3,8-12,14H,4-7H2,(H,20,21,23)/b16-10-
InChIKeyHQLXAISYYUNQJQ-YBEGLDIGSA-N
XLogP3.37
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.37
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 (5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(5Z)-2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135794870
2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135540671
(5Z)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135922813
(5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136676797
(5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 150006835
(5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one
CID 136857975
4-[(Z)-(2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135811297
N-[4-[(E)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]acetamide
CID 136857974
methyl 4-[(Z)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135901065
(5Z)-2-cyclohexylimino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135490221
(5Z)-2-cyclopentylimino-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135971003
(5E)-2-cyclopentylimino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136759026

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one (CID 135885799) is (5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\C2CCCC2)S/C1=C\c1cnn(-c2ccccc2)c1.
What is the InChIKey of (5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is HQLXAISYYUNQJQ-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-17-16(24-18(21-17)20-14-6-4-5-7-14)10-13-11-19-22(12-13)15-8-2-1-3-9-15/h1-3,8-12,14H,4-7H2,(H,20,21,23)/b16-10-.
What are the key properties of (5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 338.44 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135885799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).