2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine

C10H11BrN2O2S — CID 114385721

IUPAC2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine
SMILESCC1CNC(c2ccc(Br)cc2[N+](=O)[O-])S1
InChIInChI=1S/C10H11BrN2O2S/c1-6-5-12-10(16-6)8-3-2-7(11)4-9(8)13(14)15/h2-4,6,10,12H,5H2,1H3
InChIKeyZGBVLSJHFQYKIK-UHFFFAOYSA-N
MW303.18 g/mol
LogP3.08
Rot. Bonds2

About 2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine

2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine (PubChem CID 114385721) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine
PubChem CID114385721
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine
SMILESCC1CNC(c2ccc(Br)cc2[N+](=O)[O-])S1
InChIInChI=1S/C10H11BrN2O2S/c1-6-5-12-10(16-6)8-3-2-7(11)4-9(8)13(14)15/h2-4,6,10,12H,5H2,1H3
InChIKeyZGBVLSJHFQYKIK-UHFFFAOYSA-N
XLogP3.08
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 53.08
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

4-bromo-1-[(1S,2R)-2-methylcyclopropyl]-2-nitrobenzene
CID 28592942
1-[2-(4-bromo-2-nitrophenyl)cyclopropyl]ethanamine
CID 114385682
2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine
CID 130524941
1-[2-(4-bromo-2-nitrophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 114385767
[2-(4-bromo-2-nitrophenyl)-1-ethylpiperidin-3-yl]methanamine
CID 114385755
sodium;4-bromo-1-methyl-2-nitrobenzene;hydride
CID 174661083
2-(5-bromo-2-fluorophenyl)-6-methyl-1,3-thiazinane
CID 66225572
1-[(4-bromo-2-nitrophenyl)methyl]-3,5-dimethylpiperazine
CID 114382202
tert-butyl 2-(4-bromo-2-nitrophenyl)piperazine-1-carboxylate
CID 90909881
1-(4-bromo-2-nitrophenyl)sulfonyl-3-methylpiperazine
CID 119982172
1-[2-(4-bromo-2-nitrophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 114385756
2-(4-bromo-2-nitrophenyl)oxolane-3-carbonitrile
CID 114385822

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine?
The IUPAC name of 2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine (CID 114385721) is 2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine?
The canonical SMILES for 2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine is CC1CNC(c2ccc(Br)cc2[N+](=O)[O-])S1.
What is the InChIKey of 2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine?
The InChIKey is ZGBVLSJHFQYKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c1-6-5-12-10(16-6)8-3-2-7(11)4-9(8)13(14)15/h2-4,6,10,12H,5H2,1H3.
What are the key properties of 2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine?
2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine has a molecular weight of 303.18 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-nitrophenyl)-5-methyl-1,3-thiazolidine is sourced from PubChem (CID 114385721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).