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

C19H18FN3O2S — CID 135611120

IUPAC4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide
SMILESC[C@H](/N=C1/NC(=O)C(C)(c2ccc(C(N)=O)cc2)S1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2S/c1-11(12-5-9-15(20)10-6-12)22-18-23-17(25)19(2,26-18)14-7-3-13(4-8-14)16(21)24/h3-11H,1-2H3,(H2,21,24)(H,22,23,25)/t11-,19?/m0/s1
InChIKeyFGEMHDNXHGCGCE-IFGYVTRGSA-N
MW371.44 g/mol
LogP3.12
Rot. Bonds4

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

4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide (PubChem CID 135611120) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide
PubChem CID135611120
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide
SMILESC[C@H](/N=C1/NC(=O)C(C)(c2ccc(C(N)=O)cc2)S1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2S/c1-11(12-5-9-15(20)10-6-12)22-18-23-17(25)19(2,26-18)14-7-3-13(4-8-14)16(21)24/h3-11H,1-2H3,(H2,21,24)(H,22,23,25)/t11-,19?/m0/s1
InChIKeyFGEMHDNXHGCGCE-IFGYVTRGSA-N
XLogP3.12
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-((S)-1-(2-fluorophenyl)ethylamino)-5-isopropyl-5-methylthiazol-4(5H)-one
CID 135513265
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
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-isopropylbenzamide
CID 802139
1-(4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-4-oxo-4,5-dihydrothiazol-5-yl}phenyl)cyclopropanecarboxamide
CID 135556845
Methyl 4-(2-((S)-1-(4-fluorophenyl)ethylamino)-5-methyl-4-oxo-4,5-dihydrothiazol-5-yl)benzoate
CID 135590907
N-Cyclopentyl-4-{2-[(S)-1-(4-fluorophenyl)ethylamino]-5-methyl-4-oxo-4,5-dihydrothiazol-5-yl}benzamide
CID 135610998
4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-4-oxo-4,5-dihydrothiazol-5-yl}-N-methylbenzamide
CID 135611019
2-((S)-1-(4-fluorophenyl)ethylamino)-5-methyl-5-(4-(pyrrolidine-1-carbonyl)phenyl)thiazol-4(5H)-one
CID 135611130
5-(4-Fluorophenyl)-2-[(S)-1-(4-fluorophenyl)ethylamino]-5-methylthiazol-4(5H)-one
CID 135857018

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide?
The IUPAC name of 4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide (CID 135611120) is 4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide.
What is the SMILES notation for 4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide?
The canonical SMILES for 4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide is C[C@H](/N=C1/NC(=O)C(C)(c2ccc(C(N)=O)cc2)S1)c1ccc(F)cc1.
What is the InChIKey of 4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide?
The InChIKey is FGEMHDNXHGCGCE-IFGYVTRGSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-11(12-5-9-15(20)10-6-12)22-18-23-17(25)19(2,26-18)14-7-3-13(4-8-14)16(21)24/h3-11H,1-2H3,(H2,21,24)(H,22,23,25)/t11-,19?/m0/s1.
What are the key properties of 4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide?
4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzamide is sourced from PubChem (CID 135611120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).