3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole

C15H18N4O3S — CID 43949619

IUPAC3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole
SMILESCC1CCCCN1c1nsnc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H18N4O3S/c1-11-4-2-3-9-18(11)14-15(17-23-16-14)22-10-12-5-7-13(8-6-12)19(20)21/h5-8,11H,2-4,9-10H2,1H3
InChIKeyJURBJFYBQCVVGT-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.40
Rot. Bonds5

About 3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole

3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole (PubChem CID 43949619) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole
PubChem CID43949619
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole
SMILESCC1CCCCN1c1nsnc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H18N4O3S/c1-11-4-2-3-9-18(11)14-15(17-23-16-14)22-10-12-5-7-13(8-6-12)19(20)21/h5-8,11H,2-4,9-10H2,1H3
InChIKeyJURBJFYBQCVVGT-UHFFFAOYSA-N
XLogP3.40
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole 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

3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole
CID 43949596
2-methyl-1-[2-[(4-nitrophenyl)methoxy]ethyl]piperidine
CID 58513858
1-(4-chlorophenyl)-2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]ethanone
CID 43949594
4-[(2S)-2-methylpiperidin-1-yl]-2-(4-nitrophenyl)quinazoline
CID 1418966
2,6-dimethyl-N-[(4-nitrophenyl)methyl]piperidin-1-amine
CID 83006812
N-benzyl-N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23477954
(4-nitrophenyl)methyl N-cyclopentylcarbamate
CID 142246098
3-(2-methylpiperidin-1-yl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 18584513
4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 23492185
(2R)-2-methyl-1-[4-nitro-2-(1,2,4-triazol-4-yl)phenyl]piperidine
CID 95362194
methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate
CID 43949610
(4-nitrophenyl)methyl 1-acetylpiperidine-4-carboxylate
CID 78764011

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole (CID 43949619) is 3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole is CC1CCCCN1c1nsnc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole?
The InChIKey is JURBJFYBQCVVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-11-4-2-3-9-18(11)14-15(17-23-16-14)22-10-12-5-7-13(8-6-12)19(20)21/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole?
3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole has a molecular weight of 334.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole is sourced from PubChem (CID 43949619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).