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

C11H17N3OS — CID 10220374

IUPAC3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propoxy-1,2,5-thiadiazole
SMILESCCCOc1nsnc1C1=CCCN(C)C1
InChIInChI=1S/C11H17N3OS/c1-3-7-15-11-10(12-16-13-11)9-5-4-6-14(2)8-9/h5H,3-4,6-8H2,1-2H3
InChIKeyVGRPVZDIAOGCMM-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.05
Rot. Bonds4

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

3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propoxy-1,2,5-thiadiazole (PubChem CID 10220374) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propoxy-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propoxy-1,2,5-thiadiazole
PubChem CID10220374
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propoxy-1,2,5-thiadiazole
SMILESCCCOc1nsnc1C1=CCCN(C)C1
InChIInChI=1S/C11H17N3OS/c1-3-7-15-11-10(12-16-13-11)9-5-4-6-14(2)8-9/h5H,3-4,6-8H2,1-2H3
InChIKeyVGRPVZDIAOGCMM-UHFFFAOYSA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propoxy-1,2,5-thiadiazole?
The IUPAC name of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propoxy-1,2,5-thiadiazole (CID 10220374) is 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propoxy-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propoxy-1,2,5-thiadiazole?
The canonical SMILES for 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propoxy-1,2,5-thiadiazole is CCCOc1nsnc1C1=CCCN(C)C1.
What is the InChIKey of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propoxy-1,2,5-thiadiazole?
The InChIKey is VGRPVZDIAOGCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-7-15-11-10(12-16-13-11)9-5-4-6-14(2)8-9/h5H,3-4,6-8H2,1-2H3.
What are the key properties of 3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propoxy-1,2,5-thiadiazole?
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-propoxy-1,2,5-thiadiazole has a molecular weight of 239.34 g/mol, XLogP of 2.05, 4 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-propoxy-1,2,5-thiadiazole is sourced from PubChem (CID 10220374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).