(5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one

C17H18F2N2O3S — CID 136857990

IUPAC(5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2/S/C(=N\C3CCCC3)NC2=O)ccc1OC(F)F
InChIInChI=1S/C17H18F2N2O3S/c1-23-13-8-10(6-7-12(13)24-16(18)19)9-14-15(22)21-17(25-14)20-11-4-2-3-5-11/h6-9,11,16H,2-5H2,1H3,(H,20,21,22)/b14-9+
InChIKeyTYWGKLSVGHAOMU-NTEUORMPSA-N
MW368.41 g/mol
LogP3.80
Rot. Bonds5

About (5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one

(5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 136857990) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is (5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID136857990
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name(5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2/S/C(=N\C3CCCC3)NC2=O)ccc1OC(F)F
InChIInChI=1S/C17H18F2N2O3S/c1-23-13-8-10(6-7-12(13)24-16(18)19)9-14-15(22)21-17(25-14)20-11-4-2-3-5-11/h6-9,11,16H,2-5H2,1H3,(H,20,21,22)/b14-9+
InChIKeyTYWGKLSVGHAOMU-NTEUORMPSA-N
XLogP3.80
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(5E)-2-cyclopentylimino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136759026
(5E)-2-cyclopentylimino-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 167864296
(5Z)-2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135794870
2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135540671
(5Z)-2-cyclopentylimino-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135753614
(5Z)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135922813
(5E)-2-cyclopentylimino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 136676797
methyl 4-[(Z)-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135901065
2-cyclopentylimino-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136577262
(NE)-N-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-methoxybenzenesulfonamide
CID 135771463
2-(4-methoxyphenyl)imino-5-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135468978
(5Z)-2-cyclohexylimino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135490221

Frequently Asked Questions

What is the IUPAC name of (5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one (CID 136857990) is (5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one is COc1cc(/C=C2/S/C(=N\C3CCCC3)NC2=O)ccc1OC(F)F.
What is the InChIKey of (5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is TYWGKLSVGHAOMU-NTEUORMPSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-23-13-8-10(6-7-12(13)24-16(18)19)9-14-15(22)21-17(25-14)20-11-4-2-3-5-11/h6-9,11,16H,2-5H2,1H3,(H,20,21,22)/b14-9+.
What are the key properties of (5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one?
(5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 368.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-cyclopentylimino-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136857990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).