5-methyl-2-piperidin-4-yl-1,3-benzothiazole

C13H16N2S — CID 43305042

IUPAC5-methyl-2-piperidin-4-yl-1,3-benzothiazole
SMILESCc1ccc2sc(C3CCNCC3)nc2c1
InChIInChI=1S/C13H16N2S/c1-9-2-3-12-11(8-9)15-13(16-12)10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKeyZZSWNCUBPWMLNN-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.07
Rot. Bonds1

About 5-methyl-2-piperidin-4-yl-1,3-benzothiazole

5-methyl-2-piperidin-4-yl-1,3-benzothiazole (PubChem CID 43305042) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-methyl-2-piperidin-4-yl-1,3-benzothiazole.

Molecular Properties

Compound Name5-methyl-2-piperidin-4-yl-1,3-benzothiazole
PubChem CID43305042
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name5-methyl-2-piperidin-4-yl-1,3-benzothiazole
SMILESCc1ccc2sc(C3CCNCC3)nc2c1
InChIInChI=1S/C13H16N2S/c1-9-2-3-12-11(8-9)15-13(16-12)10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKeyZZSWNCUBPWMLNN-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-4-yl-1,3-benzothiazole?
The IUPAC name of 5-methyl-2-piperidin-4-yl-1,3-benzothiazole (CID 43305042) is 5-methyl-2-piperidin-4-yl-1,3-benzothiazole.
What is the SMILES notation for 5-methyl-2-piperidin-4-yl-1,3-benzothiazole?
The canonical SMILES for 5-methyl-2-piperidin-4-yl-1,3-benzothiazole is Cc1ccc2sc(C3CCNCC3)nc2c1.
What is the InChIKey of 5-methyl-2-piperidin-4-yl-1,3-benzothiazole?
The InChIKey is ZZSWNCUBPWMLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-2-3-12-11(8-9)15-13(16-12)10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3.
What are the key properties of 5-methyl-2-piperidin-4-yl-1,3-benzothiazole?
5-methyl-2-piperidin-4-yl-1,3-benzothiazole has a molecular weight of 232.35 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-4-yl-1,3-benzothiazole is sourced from PubChem (CID 43305042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).