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{1-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl}methanol

ChemBase ID: 341482
Molecular Formular: C13H23N3OS
Molecular Mass: 269.40622
Monoisotopic Mass: 269.15618337
SMILES and InChIs

SMILES:
c1(c(nns1)C)CN1CC(CO)(CCC1)CCC
Canonical SMILES:
CCCC1(CO)CCCN(C1)Cc1snnc1C
InChI:
InChI=1S/C13H23N3OS/c1-3-5-13(10-17)6-4-7-16(9-13)8-12-11(2)14-15-18-12/h17H,3-10H2,1-2H3
InChIKey:
ZOZNQRWFGNCHIG-UHFFFAOYSA-N

Cite this record

CBID:341482 http://www.chembase.cn/molecule-341482.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{1-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl}methanol
IUPAC Traditional name
{1-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl}methanol
Synonyms
{1-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-3-propylpiperidin-3-yl}methanol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14025747 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
Log P 2.17  LOG S -2.01 
Polar Surface Area 49.25 Å2 Rotatable Bonds
H Acceptors H Donor
Molar Refractivity 75.2627 cm3 Polarizability 28.85684 Å3
Polar Surface Area 49.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 15.071272 
H Acceptors H Donor
LogD (pH = 5.5) -0.2685864  LogD (pH = 7.4) 1.4523981 
Log P 1.9688958 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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