(5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

C19H14FN3OS2 — CID 1301232

IUPAC(5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1[C@H](Cc2ccc(F)cc2)SC(=Nc2nccs2)N1c1ccccc1
InChIInChI=1S/C19H14FN3OS2/c20-14-8-6-13(7-9-14)12-16-17(24)23(15-4-2-1-3-5-15)19(26-16)22-18-21-10-11-25-18/h1-11,16H,12H2/t16-/m0/s1
InChIKeyDWWSLGLNUKOQNA-INIZCTEOSA-N
MW383.47 g/mol
LogP4.66
Rot. Bonds4

About (5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

(5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 1301232) has the molecular formula C19H14FN3OS2 and a molecular weight of 383.47 g/mol. Its IUPAC name is (5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
PubChem CID1301232
Molecular FormulaC19H14FN3OS2
Molecular Weight383.47 g/mol
Exact Mass383.06
IUPAC Name(5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1[C@H](Cc2ccc(F)cc2)SC(=Nc2nccs2)N1c1ccccc1
InChIInChI=1S/C19H14FN3OS2/c20-14-8-6-13(7-9-14)12-16-17(24)23(15-4-2-1-3-5-15)19(26-16)22-18-21-10-11-25-18/h1-11,16H,12H2/t16-/m0/s1
InChIKeyDWWSLGLNUKOQNA-INIZCTEOSA-N
XLogP4.66
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 3801970
5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 5158922
(5S)-3-(3-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126153547
2-[(2Z)-3-ethyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6253119
(2Z,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
CID 7329424
5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 4545472
(5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126156151
(2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844577
(2E,5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844496
N-(4-ethylphenyl)-2-[3-methyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetamide
CID 4311304
(2E)-5-benzyl-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 5341047
(2E,5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844481

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (CID 1301232) is (5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is O=C1[C@H](Cc2ccc(F)cc2)SC(=Nc2nccs2)N1c1ccccc1.
What is the InChIKey of (5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is DWWSLGLNUKOQNA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H14FN3OS2/c20-14-8-6-13(7-9-14)12-16-17(24)23(15-4-2-1-3-5-15)19(26-16)22-18-21-10-11-25-18/h1-11,16H,12H2/t16-/m0/s1.
What are the key properties of (5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
(5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 383.47 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1301232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).