N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide

C17H15FN2O3S — CID 86264755

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCSC1c1ccccc1F
InChIInChI=1S/C17H15FN2O3S/c18-13-4-2-1-3-12(13)16-20(7-8-24-16)17(21)19-11-5-6-14-15(9-11)23-10-22-14/h1-6,9,16H,7-8,10H2,(H,19,21)
InChIKeyZYUSVBMYXFQIDB-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.83
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 86264755) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID86264755
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCSC1c1ccccc1F
InChIInChI=1S/C17H15FN2O3S/c18-13-4-2-1-3-12(13)16-20(7-8-24-16)17(21)19-11-5-6-14-15(9-11)23-10-22-14/h1-6,9,16H,7-8,10H2,(H,19,21)
InChIKeyZYUSVBMYXFQIDB-UHFFFAOYSA-N
XLogP3.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-fluorophenyl)-N-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7499220
(2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7301691
2-(1,3-benzodioxol-5-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 5114817
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-thiazolidine-3-carboxamide
CID 122329146
(2S)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7349968
2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
CID 122331003
(2S)-2-(1,3-benzodioxol-5-yl)-N-(4-methylsulfanylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025508
(2R)-2-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 1025456
(2R)-N-(2-bromophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7297065
2-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3548492
(2R)-2-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7440090
(2S)-N-(2,3-dichlorophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7288804

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 86264755) is N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)N1CCSC1c1ccccc1F.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is ZYUSVBMYXFQIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c18-13-4-2-1-3-12(13)16-20(7-8-24-16)17(21)19-11-5-6-14-15(9-11)23-10-22-14/h1-6,9,16H,7-8,10H2,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 86264755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).