(5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one

C16H11ClN2OS — CID 135711756

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
SMILESO=C1NC(=N\c2ccccc2)/C(=C/c2ccc(Cl)cc2)S1
InChIInChI=1S/C16H11ClN2OS/c17-12-8-6-11(7-9-12)10-14-15(19-16(20)21-14)18-13-4-2-1-3-5-13/h1-10H,(H,18,19,20)/b14-10-
InChIKeyNLZDLGYKPBBJRX-UVTDQMKNSA-N
MW314.80 g/mol
LogP4.87
Rot. Bonds2

About (5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one

(5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one (PubChem CID 135711756) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
PubChem CID135711756
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
SMILESO=C1NC(=N\c2ccccc2)/C(=C/c2ccc(Cl)cc2)S1
InChIInChI=1S/C16H11ClN2OS/c17-12-8-6-11(7-9-12)10-14-15(19-16(20)21-14)18-13-4-2-1-3-5-13/h1-10H,(H,18,19,20)/b14-10-
InChIKeyNLZDLGYKPBBJRX-UVTDQMKNSA-N
XLogP4.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one
CID 135634039
(5Z)-4-(4-chlorophenyl)imino-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one
CID 135782207
(5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one
CID 135711695
(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one
CID 135555338
4-[[(5Z)-5-[(4-fluorophenyl)methylidene]-2-oxo-1,3-thiazolidin-4-ylidene]amino]benzoic acid
CID 135711795
(5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135672066
(5E)-5-[(1,3-dimethylpyrazol-4-yl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135635518
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135782284
(5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one
CID 135635357
(5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one
CID 135782343
(5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062975

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one (CID 135711756) is (5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one is O=C1NC(=N\c2ccccc2)/C(=C/c2ccc(Cl)cc2)S1.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
The InChIKey is NLZDLGYKPBBJRX-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-12-8-6-11(7-9-12)10-14-15(19-16(20)21-14)18-13-4-2-1-3-5-13/h1-10H,(H,18,19,20)/b14-10-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one has a molecular weight of 314.80 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135711756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).