2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide

C25H26FN3O4S — CID 56697499

IUPAC2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)ccc1OCC(N)=O
InChIInChI=1S/C25H26FN3O4S/c1-32-21-13-16(11-12-20(21)33-15-23(27)30)14-22-24(31)29(17-7-3-2-4-8-17)25(34-22)28-19-10-6-5-9-18(19)26/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H2,27,30)/b22-14-,28-25-
InChIKeyAQMDQZAVQTWQQR-OUGGDVFGSA-N
MW483.57 g/mol
LogP4.64
Rot. Bonds7

About 2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide

2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide (PubChem CID 56697499) has the molecular formula C25H26FN3O4S and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide
PubChem CID56697499
Molecular FormulaC25H26FN3O4S
Molecular Weight483.57 g/mol
Exact Mass483.16
IUPAC Name2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)ccc1OCC(N)=O
InChIInChI=1S/C25H26FN3O4S/c1-32-21-13-16(11-12-20(21)33-15-23(27)30)14-22-24(31)29(17-7-3-2-4-8-17)25(34-22)28-19-10-6-5-9-18(19)26/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H2,27,30)/b22-14-,28-25-
InChIKeyAQMDQZAVQTWQQR-OUGGDVFGSA-N
XLogP4.64
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[4-[(Z)-(3-cyclohexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid
CID 2720922
(5Z)-3-cyclohexyl-5-[(3,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 96883789
3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 4596884
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843583
5-[(5-bromo-2,4-dimethoxyphenyl)methylidene]-3-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 3777351
(5E)-5-[(2-bromo-4-butoxy-5-methoxyphenyl)methylidene]-3-cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 17387106
(2E,5Z)-3-cyclohexyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18842501
2-[4-[(E)-(1-cyclohexyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy]acetamide
CID 19547660
2-[2-methoxy-4-[(Z)-[3-[(1R,2S)-2-methylcyclohexyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 98619248
3-cyclohexyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2909011
2-[[4-[(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]methyl]benzonitrile
CID 3892023
2-[4-[(E)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-N-(2-propan-2-ylphenyl)acetamide
CID 126353232

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide (CID 56697499) is 2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide is COc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is AQMDQZAVQTWQQR-OUGGDVFGSA-N. The full InChI is InChI=1S/C25H26FN3O4S/c1-32-21-13-16(11-12-20(21)33-15-23(27)30)14-22-24(31)29(17-7-3-2-4-8-17)25(34-22)28-19-10-6-5-9-18(19)26/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H2,27,30)/b22-14-,28-25-.
What are the key properties of 2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide?
2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 483.57 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[3-cyclohexyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 56697499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).