4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol

C13H16N2OS2 — CID 81042250

IUPAC4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol
SMILESOC1(CSc2nc3ccccc3s2)CCNCC1
InChIInChI=1S/C13H16N2OS2/c16-13(5-7-14-8-6-13)9-17-12-15-10-3-1-2-4-11(10)18-12/h1-4,14,16H,5-9H2
InChIKeyYUCZOMASEZPZIJ-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.50
Rot. Bonds3

About 4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol

4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol (PubChem CID 81042250) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol
PubChem CID81042250
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol
SMILESOC1(CSc2nc3ccccc3s2)CCNCC1
InChIInChI=1S/C13H16N2OS2/c16-13(5-7-14-8-6-13)9-17-12-15-10-3-1-2-4-11(10)18-12/h1-4,14,16H,5-9H2
InChIKeyYUCZOMASEZPZIJ-UHFFFAOYSA-N
XLogP2.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
CID 79818430
4-(1,3-benzothiazol-2-ylmethyl)azepan-4-ol
CID 103982930
calcium 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
CID 54604872
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416572
1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfanyl]-1,3-benzothiazole
CID 166597444
2-(2-methylidenebutylsulfanyl)-1,3-benzothiazole
CID 118036989
2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride
CID 18538492
4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 2707110
3-(1,3-benzothiazol-2-ylsulfanyl)propanoyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate
CID 88662878
2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole
CID 62358217
[2-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 43530095

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol?
The IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol (CID 81042250) is 4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol is OC1(CSc2nc3ccccc3s2)CCNCC1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol?
The InChIKey is YUCZOMASEZPZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c16-13(5-7-14-8-6-13)9-17-12-15-10-3-1-2-4-11(10)18-12/h1-4,14,16H,5-9H2.
What are the key properties of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol?
4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol has a molecular weight of 280.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)piperidin-4-ol is sourced from PubChem (CID 81042250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).