N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide

C10H10FN3O2S — CID 43600078

IUPACN-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESNc1ccc(F)c(NC(=O)C2CSC(=O)N2)c1
InChIInChI=1S/C10H10FN3O2S/c11-6-2-1-5(12)3-7(6)13-9(15)8-4-17-10(16)14-8/h1-3,8H,4,12H2,(H,13,15)(H,14,16)
InChIKeyFBLNEQDTKUQQSK-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.17
Rot. Bonds2

About N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 43600078) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID43600078
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC NameN-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESNc1ccc(F)c(NC(=O)C2CSC(=O)N2)c1
InChIInChI=1S/C10H10FN3O2S/c11-6-2-1-5(12)3-7(6)13-9(15)8-4-17-10(16)14-8/h1-3,8H,4,12H2,(H,13,15)(H,14,16)
InChIKeyFBLNEQDTKUQQSK-UHFFFAOYSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 107612421
3-fluoro-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 63190046
2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 43442838
N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65429945
N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81466790
N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide
CID 64766487
N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 64896228
4-chloro-3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 43096493
N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 43600111
(3S)-N-(2,5-difluorophenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 95986397
N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43599815
(4R)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120882971

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 43600078) is N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide is Nc1ccc(F)c(NC(=O)C2CSC(=O)N2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is FBLNEQDTKUQQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c11-6-2-1-5(12)3-7(6)13-9(15)8-4-17-10(16)14-8/h1-3,8H,4,12H2,(H,13,15)(H,14,16).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43600078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).