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

C11H14N2O2S — CID 66228283

IUPAC4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine
SMILESCC1(C)CSC(c2cccc([N+](=O)[O-])c2)N1
InChIInChI=1S/C11H14N2O2S/c1-11(2)7-16-10(12-11)8-4-3-5-9(6-8)13(14)15/h3-6,10,12H,7H2,1-2H3
InChIKeyXTIPXAXIUKZSLI-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.71
Rot. Bonds2

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

4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine (PubChem CID 66228283) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine
PubChem CID66228283
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine
SMILESCC1(C)CSC(c2cccc([N+](=O)[O-])c2)N1
InChIInChI=1S/C11H14N2O2S/c1-11(2)7-16-10(12-11)8-4-3-5-9(6-8)13(14)15/h3-6,10,12H,7H2,1-2H3
InChIKeyXTIPXAXIUKZSLI-UHFFFAOYSA-N
XLogP2.71
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.71
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

2,2-dimethyl-3-(3-nitrophenyl)cyclobutan-1-amine
CID 81415405
ethyl (2S,4S)-2-(3-nitrophenyl)-1,3-thiazolidine-4-carboxylate
CID 98000641
5-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 143152794
1-[(1R,2S)-2-methyl-2-phenylcyclopropyl]-3-nitrobenzene
CID 134969429
3-(3-nitrophenyl)-(1,2-15N2)3H-diazirine
CID 164713943
(3-nitrophenyl)cycloheptane
CID 142001294
(6S)-6-(3-nitrophenyl)-5,8-diazaspiro[3.4]octan-7-one
CID 86334218
2,6-bis(3-nitrophenyl)thian-4-one
CID 10089760
8-(3-nitrophenyl)-6-azaspiro[2.5]octane
CID 175957530
6-(2-methylpropyl)-5-(3-nitrophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245377
4-[2,2-dimethyl-5-(3-nitrophenyl)pyrrolidin-3-yl]pyridine;dihydrochloride
CID 21499420
6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2916903

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine?
The IUPAC name of 4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine (CID 66228283) is 4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine.
What is the SMILES notation for 4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine?
The canonical SMILES for 4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine is CC1(C)CSC(c2cccc([N+](=O)[O-])c2)N1.
What is the InChIKey of 4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine?
The InChIKey is XTIPXAXIUKZSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-11(2)7-16-10(12-11)8-4-3-5-9(6-8)13(14)15/h3-6,10,12H,7H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine?
4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine has a molecular weight of 238.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3-nitrophenyl)-1,3-thiazolidine is sourced from PubChem (CID 66228283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).