3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole

C15H23N3OS — CID 54376367

IUPAC3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
SMILESCC1NCCC=C1c1nsnc1OCCCC1CCC1
InChIInChI=1S/C15H23N3OS/c1-11-13(8-3-9-16-11)14-15(18-20-17-14)19-10-4-7-12-5-2-6-12/h8,11-12,16H,2-7,9-10H2,1H3
InChIKeyUWTWDMOTMIBSQN-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.26
Rot. Bonds6

About 3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole

3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole (PubChem CID 54376367) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
PubChem CID54376367
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
SMILESCC1NCCC=C1c1nsnc1OCCCC1CCC1
InChIInChI=1S/C15H23N3OS/c1-11-13(8-3-9-16-11)14-15(18-20-17-14)19-10-4-7-12-5-2-6-12/h8,11-12,16H,2-7,9-10H2,1H3
InChIKeyUWTWDMOTMIBSQN-UHFFFAOYSA-N
XLogP3.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-4-(6,6,6-trifluorohexoxy)-1,2,5-thiadiazole;oxalic acid
CID 19016541
(E)-but-2-enedioic acid;3-(3-cyclohexylpropoxy)-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
CID 19075520
3-ethoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
CID 15180143
3-(3-cyclohexylpropoxy)-1,2,5-thiadiazole
CID 140968485
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[3-[3-[3-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]propoxy]propoxy]propoxy]-1,2,5-thiadiazole;dihydrochloride
CID 160922700
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[5-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]pentoxy]-1,2,5-thiadiazole
CID 11734201
3-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-4-[5-[[4-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-yl)-1,2,5-thiadiazol-3-yl]oxy]pentoxy]-1,2,5-thiadiazole dichloride
CID 11734200
[cyclobutyl-[5-(4-hexoxy-1,2,5-thiadiazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl]methyl] decanoate
CID 172567652
3-(2-azabicyclo[2.2.1]heptan-5-yloxy)-4-butoxy-1,2,5-thiadiazole
CID 70300002
6-methyl-1,2,3,6-tetrahydropyridine-5-carbaldehyde
CID 57223554
2-chloro-4-(2-cyclobutylethoxy)-5-methylpyrimidine
CID 106201426
2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline
CID 97164923

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole (CID 54376367) is 3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole is CC1NCCC=C1c1nsnc1OCCCC1CCC1.
What is the InChIKey of 3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The InChIKey is UWTWDMOTMIBSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11-13(8-3-9-16-11)14-15(18-20-17-14)19-10-4-7-12-5-2-6-12/h8,11-12,16H,2-7,9-10H2,1H3.
What are the key properties of 3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole has a molecular weight of 293.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutylpropoxy)-4-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 54376367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).