1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol

C14H23N3O2S — CID 10424725

IUPAC1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol
SMILESCCCC(O)CCOc1nsnc1C1=CCCN(C)C1
InChIInChI=1S/C14H23N3O2S/c1-3-5-12(18)7-9-19-14-13(15-20-16-14)11-6-4-8-17(2)10-11/h6,12,18H,3-5,7-10H2,1-2H3
InChIKeyODYCHWWAVAJWGC-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.19
Rot. Bonds7

About 1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol

1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol (PubChem CID 10424725) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol.

Molecular Properties

Compound Name1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol
PubChem CID10424725
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol
SMILESCCCC(O)CCOc1nsnc1C1=CCCN(C)C1
InChIInChI=1S/C14H23N3O2S/c1-3-5-12(18)7-9-19-14-13(15-20-16-14)11-6-4-8-17(2)10-11/h6,12,18H,3-5,7-10H2,1-2H3
InChIKeyODYCHWWAVAJWGC-UHFFFAOYSA-N
XLogP2.19
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol?
The IUPAC name of 1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol (CID 10424725) is 1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol.
What is the SMILES notation for 1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol?
The canonical SMILES for 1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol is CCCC(O)CCOc1nsnc1C1=CCCN(C)C1.
What is the InChIKey of 1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol?
The InChIKey is ODYCHWWAVAJWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-5-12(18)7-9-19-14-13(15-20-16-14)11-6-4-8-17(2)10-11/h6,12,18H,3-5,7-10H2,1-2H3.
What are the key properties of 1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol?
1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol has a molecular weight of 297.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]hexan-3-ol is sourced from PubChem (CID 10424725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).