5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one

C18H16F2N2OS — CID 135857018

IUPAC5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@H](/N=C1/NC(=O)C(C)(c2ccc(F)cc2)S1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2OS/c1-11(12-3-7-14(19)8-4-12)21-17-22-16(23)18(2,24-17)13-5-9-15(20)10-6-13/h3-11H,1-2H3,(H,21,22,23)/t11-,18?/m0/s1
InChIKeyMIGKHDFDKUOWGG-FAQQKDIKSA-N
MW346.40 g/mol
LogP4.16
Rot. Bonds3

About 5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one

5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135857018) has the molecular formula C18H16F2N2OS and a molecular weight of 346.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one
PubChem CID135857018
Molecular FormulaC18H16F2N2OS
Molecular Weight346.40 g/mol
Exact Mass346.10
IUPAC Name5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one
SMILESC[C@H](/N=C1/NC(=O)C(C)(c2ccc(F)cc2)S1)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2OS/c1-11(12-3-7-14(19)8-4-12)21-17-22-16(23)18(2,24-17)13-5-9-15(20)10-6-13/h3-11H,1-2H3,(H,21,22,23)/t11-,18?/m0/s1
InChIKeyMIGKHDFDKUOWGG-FAQQKDIKSA-N
XLogP4.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one
CID 135513268
5-isopropyl-5-methyl-2-((S)-1-phenylethylamino)thiazol-4(5H)-one
CID 135513260
5-isopropyl-5-methyl-2-((R)-1-phenylethylamino)thiazol-4(5H)-one
CID 135513261
5-isopropyl-5-methyl-2-((S)-1-(3-(trifluoromethyl)phenyl)ethylamino)thiazol-4(5H)-one
CID 135513262
5-isopropyl-5-methyl-2-((S)-1-(2-(trifluoromethyl)phenyl)ethylamino)thiazol-4(5H)-one
CID 135513263
(S)-2-((S)-1-(2-fluorophenyl)ethylamino)-5-isopropyl-5-methylthiazol-4(5H)-one
CID 135513265
(R)-2-((S)-1-(2-fluorophenyl)ethylamino)-5-methyl-5-(trifluoromethyl)thiazol-4(5H)-one
CID 135513267
2-(benzylamino)-5-isopropyl-5-methylthiazol-4(5H)-one
CID 135513269
5-isopropyl-5-methyl-2-((S)-1-(4-(trifluoromethyl)phenyl)ethylamino)thiazol-4(5H)-one
CID 135513270
(R)-2-((S)-1-(2-fluorophenyl)ethylamino)-5-isopropyl-5-methylthiazol-4(5H)-one
CID 135513272
2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-(2-fluoropropan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-4-one
CID 135513273
2-((S)-1-(2-fluorophenyl)ethylamino)-5-isopropyl-5-methylthiazol-4(5H)-one
CID 135559069

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one (CID 135857018) is 5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one is C[C@H](/N=C1/NC(=O)C(C)(c2ccc(F)cc2)S1)c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is MIGKHDFDKUOWGG-FAQQKDIKSA-N. The full InChI is InChI=1S/C18H16F2N2OS/c1-11(12-3-7-14(19)8-4-12)21-17-22-16(23)18(2,24-17)13-5-9-15(20)10-6-13/h3-11H,1-2H3,(H,21,22,23)/t11-,18?/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one?
5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 346.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135857018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).