2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

C17H19FN2O3S — CID 93117482

IUPAC2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)C[C@@H]1S/C(=N\C2CCCCC2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H19FN2O3S/c18-11-6-8-13(9-7-11)20-16(23)14(10-15(21)22)24-17(20)19-12-4-2-1-3-5-12/h6-9,12,14H,1-5,10H2,(H,21,22)/b19-17-/t14-/m0/s1
InChIKeyFLVLNGVBMQWMCE-STGLLQLASA-N
MW350.42 g/mol
LogP3.44
Rot. Bonds4

About 2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 93117482) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID93117482
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)C[C@@H]1S/C(=N\C2CCCCC2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H19FN2O3S/c18-11-6-8-13(9-7-11)20-16(23)14(10-15(21)22)24-17(20)19-12-4-2-1-3-5-12/h6-9,12,14H,1-5,10H2,(H,21,22)/b19-17-/t14-/m0/s1
InChIKeyFLVLNGVBMQWMCE-STGLLQLASA-N
XLogP3.44
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5R)-2-cyclohexylimino-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 6977368
2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 1280324
2-[(5R)-3-(4-methylphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 40555085
2-[3-(4-chlorophenyl)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 4860956
2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
CID 51859703
2-[(5R)-2-(furan-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
CID 2310898
(5S)-3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 41180381
2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 3524942
2-[(2Z,5R)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
CID 6978006
2-[(2E,5R)-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
CID 5497391
2-[4-[(Z)-[(Z)-[(5R)-5-[2-(4-fluoroanilino)-2-oxoethyl]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]phenoxy]acetic acid
CID 98143930
2-[(2E)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 5348494

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid (CID 93117482) is 2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid is O=C(O)C[C@@H]1S/C(=N\C2CCCCC2)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is FLVLNGVBMQWMCE-STGLLQLASA-N. The full InChI is InChI=1S/C17H19FN2O3S/c18-11-6-8-13(9-7-11)20-16(23)14(10-15(21)22)24-17(20)19-12-4-2-1-3-5-12/h6-9,12,14H,1-5,10H2,(H,21,22)/b19-17-/t14-/m0/s1.
What are the key properties of 2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 350.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-cyclohexylimino-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 93117482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).