3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole

C18H23N3OS — CID 18920301

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole
SMILESCc1cccc(CCCOc2nsnc2C2=CCCN(C)C2)c1
InChIInChI=1S/C18H23N3OS/c1-14-6-3-7-15(12-14)8-5-11-22-18-17(19-23-20-18)16-9-4-10-21(2)13-16/h3,6-7,9,12H,4-5,8,10-11,13H2,1-2H3
InChIKeyRLZNIDSVTDKNII-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.58
Rot. Bonds6

About 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole

3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole (PubChem CID 18920301) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole
PubChem CID18920301
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole
SMILESCc1cccc(CCCOc2nsnc2C2=CCCN(C)C2)c1
InChIInChI=1S/C18H23N3OS/c1-14-6-3-7-15(12-14)8-5-11-22-18-17(19-23-20-18)16-9-4-10-21(2)13-16/h3,6-7,9,12H,4-5,8,10-11,13H2,1-2H3
InChIKeyRLZNIDSVTDKNII-UHFFFAOYSA-N
XLogP3.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-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

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole (CID 18920301) is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole is Cc1cccc(CCCOc2nsnc2C2=CCCN(C)C2)c1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole?
The InChIKey is RLZNIDSVTDKNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14-6-3-7-15(12-14)8-5-11-22-18-17(19-23-20-18)16-9-4-10-21(2)13-16/h3,6-7,9,12H,4-5,8,10-11,13H2,1-2H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole?
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole has a molecular weight of 329.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-(3-methylphenyl)propoxy]-1,2,5-thiadiazole is sourced from PubChem (CID 18920301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).