(5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one

C18H13F3N2O2S — CID 135711713

IUPAC(5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one
SMILESCOc1ccc(/C=C2\SC(=O)N\C2=N/c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H13F3N2O2S/c1-25-14-7-5-11(6-8-14)9-15-16(23-17(24)26-15)22-13-4-2-3-12(10-13)18(19,20)21/h2-10H,1H3,(H,22,23,24)/b15-9-
InChIKeyFQOMBBXDHWJOAX-DHDCSXOGSA-N
MW378.38 g/mol
LogP5.24
Rot. Bonds3

About (5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one

(5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one (PubChem CID 135711713) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is (5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one
PubChem CID135711713
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC Name(5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one
SMILESCOc1ccc(/C=C2\SC(=O)N\C2=N/c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H13F3N2O2S/c1-25-14-7-5-11(6-8-14)9-15-16(23-17(24)26-15)22-13-4-2-3-12(10-13)18(19,20)21/h2-10H,1H3,(H,22,23,24)/b15-9-
InChIKeyFQOMBBXDHWJOAX-DHDCSXOGSA-N
XLogP5.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.38
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634327
(5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634493
(5Z)-5-[(4-ethoxyphenyl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135563230
(5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634506
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 1354925
(5E)-2-(4-methoxyphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135435591
5-[[4-(dimethylamino)phenyl]methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135523281
(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one
CID 135711750
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135490696
(5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 1365504
(5Z)-4-(3-hydroxyphenyl)imino-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidin-2-one
CID 135782371
(5E)-3-ethyl-2-(4-methoxyphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 126241116

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one (CID 135711713) is (5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one is COc1ccc(/C=C2\SC(=O)N\C2=N/c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of (5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one?
The InChIKey is FQOMBBXDHWJOAX-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c1-25-14-7-5-11(6-8-14)9-15-16(23-17(24)26-15)22-13-4-2-3-12(10-13)18(19,20)21/h2-10H,1H3,(H,22,23,24)/b15-9-.
What are the key properties of (5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one?
(5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one has a molecular weight of 378.38 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135711713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).