2-(4-nitrophenyl)-1,3-thiazolidine

C9H10N2O2S — CID 2771066

IUPAC2-(4-nitrophenyl)-1,3-thiazolidine
SMILESO=[N+]([O-])c1ccc(C2NCCS2)cc1
InChIInChI=1S/C9H10N2O2S/c12-11(13)8-3-1-7(2-4-8)9-10-5-6-14-9/h1-4,9-10H,5-6H2
InChIKeyFMRGPMCASSSEHQ-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.93
Rot. Bonds2

About 2-(4-nitrophenyl)-1,3-thiazolidine

2-(4-nitrophenyl)-1,3-thiazolidine (PubChem CID 2771066) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-nitrophenyl)-1,3-thiazolidine
PubChem CID2771066
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name2-(4-nitrophenyl)-1,3-thiazolidine
SMILESO=[N+]([O-])c1ccc(C2NCCS2)cc1
InChIInChI=1S/C9H10N2O2S/c12-11(13)8-3-1-7(2-4-8)9-10-5-6-14-9/h1-4,9-10H,5-6H2
InChIKeyFMRGPMCASSSEHQ-UHFFFAOYSA-N
XLogP1.93
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1H-Imidazole, 4,5-dihydro-2-(((4-nitrophenyl)methyl)thio)-, monohydrobromide
CID 2936405
N,N-Dimethyl-4-(2-thiazolidinyl)benzenamine
CID 120774
(4-Nitrophenyl)-pyrrolidin-1-ylmethanethione
CID 831466
4-methyl-N-[1-(methylsulfanyl)-2-nitrovinyl]aniline
CID 6060846
Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)
CID 109563
(4-Methylphenyl)[(5-nitro-2-thienyl)methyl]amine
CID 784457
4-(4-Nitrobenzyl)thiomorpholine
CID 762900
N-(1-isopropyl-2-methylpropyl)-2-[(4-nitrobenzyl)thio]acetamide
CID 2282192
N-[2-(tert-butylthio)ethyl]-2-[(4-nitrobenzyl)thio]acetamide
CID 2288011
3-Cyclohexyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 3773482
N,N-diethyl-4-(4-nitrophenyl)-1,3-dithiol-2-amine
CID 46877453
3-Benzyl-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 2839872

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-1,3-thiazolidine?
The IUPAC name of 2-(4-nitrophenyl)-1,3-thiazolidine (CID 2771066) is 2-(4-nitrophenyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(4-nitrophenyl)-1,3-thiazolidine?
The canonical SMILES for 2-(4-nitrophenyl)-1,3-thiazolidine is O=[N+]([O-])c1ccc(C2NCCS2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)-1,3-thiazolidine?
The InChIKey is FMRGPMCASSSEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c12-11(13)8-3-1-7(2-4-8)9-10-5-6-14-9/h1-4,9-10H,5-6H2.
What are the key properties of 2-(4-nitrophenyl)-1,3-thiazolidine?
2-(4-nitrophenyl)-1,3-thiazolidine has a molecular weight of 210.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-1,3-thiazolidine is sourced from PubChem (CID 2771066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).