4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide

C17H10ClFN2O2S — CID 137131221

IUPAC4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
SMILESO=C1N/C(=N\C(=O)c2ccc(Cl)cc2)S/C1=C\c1ccc(F)cc1
InChIInChI=1S/C17H10ClFN2O2S/c18-12-5-3-11(4-6-12)15(22)20-17-21-16(23)14(24-17)9-10-1-7-13(19)8-2-10/h1-9H,(H,20,21,22,23)/b14-9-
InChIKeyOXQCLQRSUUAYKC-ZROIWOOFSA-N
MW360.80 g/mol
LogP3.88
Rot. Bonds2

About 4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide

4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide (PubChem CID 137131221) has the molecular formula C17H10ClFN2O2S and a molecular weight of 360.80 g/mol. Its IUPAC name is 4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
PubChem CID137131221
Molecular FormulaC17H10ClFN2O2S
Molecular Weight360.80 g/mol
Exact Mass360.01
IUPAC Name4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
SMILESO=C1N/C(=N\C(=O)c2ccc(Cl)cc2)S/C1=C\c1ccc(F)cc1
InChIInChI=1S/C17H10ClFN2O2S/c18-12-5-3-11(4-6-12)15(22)20-17-21-16(23)14(24-17)9-10-1-7-13(19)8-2-10/h1-9H,(H,20,21,22,23)/b14-9-
InChIKeyOXQCLQRSUUAYKC-ZROIWOOFSA-N
XLogP3.88
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Benzamide, 4-chloro-N-(4,5-dihydro-2-thiazolyl)-
CID 924611
4-chloro-N-[(2Z)-4-oxo-3,4-dihydro-2H-1,3-benzothiazin-2-ylidene]benzamide
CID 738863
(E)-methyl 2-(2-(4-chlorobenzamido)-4-oxothiazol-5(4H)-ylidene)acetate
CID 135401627
2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
CID 135797260
2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 136169614
3,4-dichloro-N-[(2E)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 135441606
methyl N,N'-bis(4-chlorobenzoyl)carbamimidothioate
CID 44443238
3-[[2-[(4-chlorophenyl)methylsulfanyl]-6-oxo-1H-1,3,5-triazin-4-yl]sulfanylmethyl]benzamide
CID 155537116
(5Z)-2-benzylimino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135449851
1-(4-Chloro-benzoyl)-2-[N-(4-chloro-benzoyl)-N'-ethyl-carbamimidoylsulfanylmethyl]-3-ethyl-isothiourea
CID 369170
4-chloro-N-[4-(4-chlorobenzoyl)-5-oxo-1,3,4-thiadiazol-2-yl]benzamide
CID 399195
(2-((4-chlorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(2-fluorophenyl)methanone
CID 3507183

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The IUPAC name of 4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide (CID 137131221) is 4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide.
What is the SMILES notation for 4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The canonical SMILES for 4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide is O=C1N/C(=N\C(=O)c2ccc(Cl)cc2)S/C1=C\c1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The InChIKey is OXQCLQRSUUAYKC-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H10ClFN2O2S/c18-12-5-3-11(4-6-12)15(22)20-17-21-16(23)14(24-17)9-10-1-7-13(19)8-2-10/h1-9H,(H,20,21,22,23)/b14-9-.
What are the key properties of 4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide has a molecular weight of 360.80 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide is sourced from PubChem (CID 137131221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).