3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one

C11H11N3O3S — CID 22951302

IUPAC3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cc([N+](=O)[O-])ccc1/N=C1\SCC(=O)N1C
InChIInChI=1S/C11H11N3O3S/c1-7-5-8(14(16)17)3-4-9(7)12-11-13(2)10(15)6-18-11/h3-5H,6H2,1-2H3/b12-11-
InChIKeyZVUXHTHNWSJBOV-QXMHVHEDSA-N
MW265.29 g/mol
LogP2.10
Rot. Bonds2

About 3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one

3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 22951302) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one
PubChem CID22951302
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one
SMILESCc1cc([N+](=O)[O-])ccc1/N=C1\SCC(=O)N1C
InChIInChI=1S/C11H11N3O3S/c1-7-5-8(14(16)17)3-4-9(7)12-11-13(2)10(15)6-18-11/h3-5H,6H2,1-2H3/b12-11-
InChIKeyZVUXHTHNWSJBOV-QXMHVHEDSA-N
XLogP2.10
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(2-methyl-4-nitrophenyl)imino-5-phenyl-1,3-thiazolidin-4-one
CID 22951301
3-butyl-N-(2-methyl-4-nitrophenyl)-1,3-thiazolidin-2-imine
CID 18316350
3-methyl-N-(2-methyl-4-nitrophenyl)spiro[1,3-thiazolidine-4,3'-bicyclo[3.2.1]octane]-2-imine
CID 22951313
(4S)-3-methyl-N-(2-methyl-4-nitrophenyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 57049689
5-methylidene-2-(2-methyl-4-nitrophenyl)imino-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 18316520
3-(2-bromoprop-2-enyl)-N-(2-methyl-4-nitrophenyl)-1,3-thiazolidin-2-imine
CID 18316420
3,3-dimethyl-1-[2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-3-yl]butan-2-one
CID 18316134
1-[2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-3-yl]butan-2-ol
CID 18316105
5,5-dimethyl-N-(2-methyl-4-nitrophenyl)-3-(2-methylprop-2-enyl)-1,3-thiazolidin-2-imine
CID 18316181
N-(2-methyl-4-nitrophenyl)-1-(2-methylprop-2-enyl)-3-thia-1-azaspiro[4.4]nonan-2-imine
CID 18316302
3-butyl-2-(2-methyl-4-nitrophenyl)imino-4-(2-methylpropyl)-1,3-thiazolidin-5-one
CID 142006988
N-(2-methyl-4-nitrophenyl)-4-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 18316220

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one (CID 22951302) is 3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one is Cc1cc([N+](=O)[O-])ccc1/N=C1\SCC(=O)N1C.
What is the InChIKey of 3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is ZVUXHTHNWSJBOV-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-7-5-8(14(16)17)3-4-9(7)12-11-13(2)10(15)6-18-11/h3-5H,6H2,1-2H3/b12-11-.
What are the key properties of 3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one?
3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 265.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 22951302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).