5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline

C18H21FN2O3S — CID 71890029

IUPAC5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCc1ccc(OCCNc2cc(N3CCCS3(=O)=O)ccc2F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-14-3-6-16(7-4-14)24-11-9-20-18-13-15(5-8-17(18)19)21-10-2-12-25(21,22)23/h3-8,13,20H,2,9-12H2,1H3
InChIKeyAYMHMEYXMIHFOV-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.16
Rot. Bonds6

About 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline

5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline (PubChem CID 71890029) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline
PubChem CID71890029
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCc1ccc(OCCNc2cc(N3CCCS3(=O)=O)ccc2F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-14-3-6-16(7-4-14)24-11-9-20-18-13-15(5-8-17(18)19)21-10-2-12-25(21,22)23/h3-8,13,20H,2,9-12H2,1H3
InChIKeyAYMHMEYXMIHFOV-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9456726
1-[4-fluoro-3-[2-(4-fluorophenoxy)ethylamino]phenyl]pyrrolidin-2-one
CID 56797789
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 7483201
N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9490187
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(5-methylhexan-2-yl)urea
CID 60545734
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-methylphenyl)urea
CID 30375019
1-cyclopentyl-3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]urea
CID 60545704
3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline
CID 82096625
ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638850
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(4-methylphenyl)acetamide
CID 47049370
(2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide
CID 94813431
3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 87035677

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline?
The IUPAC name of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline (CID 71890029) is 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline.
What is the SMILES notation for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline?
The canonical SMILES for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline is Cc1ccc(OCCNc2cc(N3CCCS3(=O)=O)ccc2F)cc1.
What is the InChIKey of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline?
The InChIKey is AYMHMEYXMIHFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-14-3-6-16(7-4-14)24-11-9-20-18-13-15(5-8-17(18)19)21-10-2-12-25(21,22)23/h3-8,13,20H,2,9-12H2,1H3.
What are the key properties of 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline?
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline has a molecular weight of 364.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluoro-N-[2-(4-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 71890029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).