6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole

C13H16N2S2 — CID 84639586

IUPAC6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole
SMILESCSc1ccc2nc(C3CCNCC3)sc2c1
InChIInChI=1S/C13H16N2S2/c1-16-10-2-3-11-12(8-10)17-13(15-11)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyCNFOHKOQFCOJPQ-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.49
Rot. Bonds2

About 6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole

6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole (PubChem CID 84639586) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is 6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole
PubChem CID84639586
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC Name6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole
SMILESCSc1ccc2nc(C3CCNCC3)sc2c1
InChIInChI=1S/C13H16N2S2/c1-16-10-2-3-11-12(8-10)17-13(15-11)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyCNFOHKOQFCOJPQ-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole?
The IUPAC name of 6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole (CID 84639586) is 6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole.
What is the SMILES notation for 6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole?
The canonical SMILES for 6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole is CSc1ccc2nc(C3CCNCC3)sc2c1.
What is the InChIKey of 6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole?
The InChIKey is CNFOHKOQFCOJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-16-10-2-3-11-12(8-10)17-13(15-11)9-4-6-14-7-5-9/h2-3,8-9,14H,4-7H2,1H3.
What are the key properties of 6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole?
6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole has a molecular weight of 264.42 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole is sourced from PubChem (CID 84639586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).