4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine

C11H12N4O4S — CID 103202251

IUPAC4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12N4O4S/c1-12-11-8(13-14-20-11)6-19-7-3-4-10(18-2)9(5-7)15(16)17/h3-5,12H,6H2,1-2H3
InChIKeyUKFNQTHGSQZCGU-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.08
Rot. Bonds6

About 4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine

4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine (PubChem CID 103202251) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine
PubChem CID103202251
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1COc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H12N4O4S/c1-12-11-8(13-14-20-11)6-19-7-3-4-10(18-2)9(5-7)15(16)17/h3-5,12H,6H2,1-2H3
InChIKeyUKFNQTHGSQZCGU-UHFFFAOYSA-N
XLogP2.08
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-methoxy-3-nitrophenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 103202262
5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 103202259
[5-[(4-methoxy-3-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 103202266
2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine
CID 103201604
6-[(4-methoxy-3-nitrophenoxy)methyl]pyridin-2-amine
CID 103202243
4-[(4-methoxy-3-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 103201513
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972
4-methoxy-N-methyl-3-nitroaniline
CID 4183507
2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide
CID 103201521
5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde
CID 103201880
[4-[(3-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245057
N,N-diethyl-2-(4-methoxy-3-nitrophenoxy)ethanamine
CID 59427849

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine (CID 103202251) is 4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine is CNc1snnc1COc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine?
The InChIKey is UKFNQTHGSQZCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-12-11-8(13-14-20-11)6-19-7-3-4-10(18-2)9(5-7)15(16)17/h3-5,12H,6H2,1-2H3.
What are the key properties of 4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine?
4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine has a molecular weight of 296.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 103202251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).