2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride

C7H9ClN2O3S — CID 66525441

IUPAC2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(C2NCCS2)o1
InChIInChI=1S/C7H8N2O3S.ClH/c10-9(11)6-2-1-5(12-6)7-8-3-4-13-7;/h1-2,7-8H,3-4H2;1H
InChIKeyJXJQRIRPQFVBRG-UHFFFAOYSA-N
MW236.68 g/mol
LogP1.94
Rot. Bonds2

About 2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride

2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride (PubChem CID 66525441) has the molecular formula C7H9ClN2O3S and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride
PubChem CID66525441
Molecular FormulaC7H9ClN2O3S
Molecular Weight236.68 g/mol
Exact Mass236.00
IUPAC Name2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(C2NCCS2)o1
InChIInChI=1S/C7H8N2O3S.ClH/c10-9(11)6-2-1-5(12-6)7-8-3-4-13-7;/h1-2,7-8H,3-4H2;1H
InChIKeyJXJQRIRPQFVBRG-UHFFFAOYSA-N
XLogP1.94
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
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

(2R)-2-(5-nitrofuran-2-yl)azetidine
CID 55263737
(2S)-2-(5-nitrofuran-2-yl)azetidine
CID 130737797
(2S)-2-(5-nitrofuran-2-yl)pyrrolidine
CID 55277581
(4S)-2-(5-nitrofuran-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 107773985
(2R)-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1204071
[(1R,2R)-2-(5-nitrofuran-2-yl)cyclopropyl]methanamine
CID 94557659
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine
CID 129367473
2-(5-nitrofuran-2-yl)oxolane-3-carboxylic acid
CID 79367934
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
2-(5-nitrofuran-2-yl)oxolane-3-carbonitrile
CID 79368491
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
2-(1H-indol-3-yl)-1,3-thiazolidine
CID 3043139

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride?
The IUPAC name of 2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride (CID 66525441) is 2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride is Cl.O=[N+]([O-])c1ccc(C2NCCS2)o1.
What is the InChIKey of 2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride?
The InChIKey is JXJQRIRPQFVBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S.ClH/c10-9(11)6-2-1-5(12-6)7-8-3-4-13-7;/h1-2,7-8H,3-4H2;1H.
What are the key properties of 2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride?
2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride has a molecular weight of 236.68 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitrofuran-2-yl)-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 66525441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).