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

C19H14ClN3OS2 — CID 3801970

IUPAC5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1C(Cc2ccc(Cl)cc2)SC(=Nc2nccs2)N1c1ccccc1
InChIInChI=1S/C19H14ClN3OS2/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
InChIKeyAOKYARRTQMQBMG-UHFFFAOYSA-N
MW399.93 g/mol
LogP5.18
Rot. Bonds4

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

5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 3801970) has the molecular formula C19H14ClN3OS2 and a molecular weight of 399.93 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
PubChem CID3801970
Molecular FormulaC19H14ClN3OS2
Molecular Weight399.93 g/mol
Exact Mass399.03
IUPAC Name5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
SMILESO=C1C(Cc2ccc(Cl)cc2)SC(=Nc2nccs2)N1c1ccccc1
InChIInChI=1S/C19H14ClN3OS2/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
InChIKeyAOKYARRTQMQBMG-UHFFFAOYSA-N
XLogP5.18
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.93
LogP ≤ 55.18
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

(5S)-5-[(4-fluorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 1301232
(2E,5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844496
(2E,5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844498
(2E,5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844503
(2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844577
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-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 5158922
(5R)-5-benzyl-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126150111
5-[(2-methylphenyl)methyl]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 4545472
N-benzyl-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
CID 3812004
(5S)-3-(3-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126153547

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (CID 3801970) is 5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is O=C1C(Cc2ccc(Cl)cc2)SC(=Nc2nccs2)N1c1ccccc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
The InChIKey is AOKYARRTQMQBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3OS2/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.
What are the key properties of 5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?
5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 399.93 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3801970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).