N-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine

C11H13N3O3S — CID 22951404

IUPACN-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine
SMILESCOc1cc([N+](=O)[O-])ccc1/N=C1\SCCN1C
InChIInChI=1S/C11H13N3O3S/c1-13-5-6-18-11(13)12-9-4-3-8(14(15)16)7-10(9)17-2/h3-4,7H,5-6H2,1-2H3/b12-11-
InChIKeyUXEAIQRNPCCOSS-QXMHVHEDSA-N
MW267.31 g/mol
LogP2.27
Rot. Bonds3

About N-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine

N-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine (PubChem CID 22951404) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine
PubChem CID22951404
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine
SMILESCOc1cc([N+](=O)[O-])ccc1/N=C1\SCCN1C
InChIInChI=1S/C11H13N3O3S/c1-13-5-6-18-11(13)12-9-4-3-8(14(15)16)7-10(9)17-2/h3-4,7H,5-6H2,1-2H3/b12-11-
InChIKeyUXEAIQRNPCCOSS-QXMHVHEDSA-N
XLogP2.27
TPSA67.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.27
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-butyl-N-(2-methyl-4-nitrophenyl)-1,3-thiazolidin-2-imine
CID 18316350
N-(3-methyl-1,3-thiazolidin-2-ylidene)-4-nitrobenzamide
CID 50878483
3-(2-bromoprop-2-enyl)-N-(2-methyl-4-nitrophenyl)-1,3-thiazolidin-2-imine
CID 18316420
2-methoxy-4-nitrobenzenethiol
CID 22148741
[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-nitrophenyl)methanone
CID 3688656
1-[2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-3-yl]butan-2-ol
CID 18316105
3-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 22951302
sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide
CID 170844614
1-[(2-methoxy-4-nitrophenyl)methyl]-4-methylpiperazine
CID 57421477
N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine
CID 3058440
ethane;2-methoxy-4-nitrophenol
CID 91188946
N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline
CID 86081155

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine (CID 22951404) is N-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine is COc1cc([N+](=O)[O-])ccc1/N=C1\SCCN1C.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine?
The InChIKey is UXEAIQRNPCCOSS-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-13-5-6-18-11(13)12-9-4-3-8(14(15)16)7-10(9)17-2/h3-4,7H,5-6H2,1-2H3/b12-11-.
What are the key properties of N-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine?
N-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine has a molecular weight of 267.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-3-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 22951404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).