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

C10H12N2O3S — CID 1204071

IUPAC(2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
SMILESCOc1ccc([C@@H]2NCCS2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O3S/c1-15-9-3-2-7(6-8(9)12(13)14)10-11-4-5-16-10/h2-3,6,10-11H,4-5H2,1H3/t10-/m1/s1
InChIKeyHLCWNEAISJRAQI-SNVBAGLBSA-N
MW240.28 g/mol
LogP1.94
Rot. Bonds3

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

(2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine (PubChem CID 1204071) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is (2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
PubChem CID1204071
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name(2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
SMILESCOc1ccc([C@@H]2NCCS2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O3S/c1-15-9-3-2-7(6-8(9)12(13)14)10-11-4-5-16-10/h2-3,6,10-11H,4-5H2,1H3/t10-/m1/s1
InChIKeyHLCWNEAISJRAQI-SNVBAGLBSA-N
XLogP1.94
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
CID 3050896
(2R)-2-(4-methoxy-3-nitrophenyl)pyrrolidine;hydrochloride
CID 171195879
(2S)-2-(4-methoxy-3-nitrophenyl)piperazine;hydrochloride
CID 171193664
3-(4-methoxy-3-nitrophenyl)azetidine;hydrochloride
CID 131879443
4-(2,2-dibromocyclopropyl)-1-methoxy-2-nitrobenzene
CID 169224101
(4S)-4-(4-methoxy-3-nitrophenyl)imidazolidin-2-one
CID 171252695
4-(4-methoxy-3-nitrophenyl)oxane-2,6-dione
CID 121001788
5-acetyl-4-(4-methoxy-3-nitrophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 50888139
(2S)-3-(4-bromophenyl)sulfonyl-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1125781
4-methoxy-N-methyl-3-nitroaniline
CID 4183507
(2R)-2-(4-methoxy-3-nitrophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1104663
2-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 45076749

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine?
The IUPAC name of (2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine (CID 1204071) is (2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine.
What is the SMILES notation for (2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine?
The canonical SMILES for (2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine is COc1ccc([C@@H]2NCCS2)cc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine?
The InChIKey is HLCWNEAISJRAQI-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-15-9-3-2-7(6-8(9)12(13)14)10-11-4-5-16-10/h2-3,6,10-11H,4-5H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine?
(2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine has a molecular weight of 240.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine is sourced from PubChem (CID 1204071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).