2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline

C10H14N2O3S — CID 63258635

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline
SMILESCOc1ccc(N)c(N2CCCS2(=O)=O)c1
InChIInChI=1S/C10H14N2O3S/c1-15-8-3-4-9(11)10(7-8)12-5-2-6-16(12,13)14/h3-4,7H,2,5-6,11H2,1H3
InChIKeyDCTVKMAJVQMLJK-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.82
Rot. Bonds2

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline (PubChem CID 63258635) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline
PubChem CID63258635
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline
SMILESCOc1ccc(N)c(N2CCCS2(=O)=O)c1
InChIInChI=1S/C10H14N2O3S/c1-15-8-3-4-9(11)10(7-8)12-5-2-6-16(12,13)14/h3-4,7H,2,5-6,11H2,1H3
InChIKeyDCTVKMAJVQMLJK-UHFFFAOYSA-N
XLogP0.82
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-4-methoxyaniline
CID 113305258
methyl 3-amino-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylbenzoate
CID 69357714
2-bromo-4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
CID 82864339
4-(1,1-dioxo-1,2-thiazolidin-2-yl)pyridin-3-amine
CID 63061752
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112505660
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenol
CID 142614209
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1H-indole-3-carbonitrile
CID 59425386
4-(1,1-dioxothiazinan-2-yl)-N-(3-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 39776296
4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline;hydrochloride
CID 171150549
2-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]-1,2-thiazolidine 1,1-dioxide
CID 71155640
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide
CID 112505449
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid
CID 71252082

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline (CID 63258635) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline is COc1ccc(N)c(N2CCCS2(=O)=O)c1.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline?
The InChIKey is DCTVKMAJVQMLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-15-8-3-4-9(11)10(7-8)12-5-2-6-16(12,13)14/h3-4,7H,2,5-6,11H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline has a molecular weight of 242.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyaniline is sourced from PubChem (CID 63258635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).