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

C14H18N2S — CID 82373398

IUPAC4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole
SMILESCc1ccc2sc(C3CCNCC3)nc2c1C
InChIInChI=1S/C14H18N2S/c1-9-3-4-12-13(10(9)2)16-14(17-12)11-5-7-15-8-6-11/h3-4,11,15H,5-8H2,1-2H3
InChIKeyAPQWOMNFCKUBDE-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.38
Rot. Bonds1

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

4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole (PubChem CID 82373398) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole
PubChem CID82373398
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole
SMILESCc1ccc2sc(C3CCNCC3)nc2c1C
InChIInChI=1S/C14H18N2S/c1-9-3-4-12-13(10(9)2)16-14(17-12)11-5-7-15-8-6-11/h3-4,11,15H,5-8H2,1-2H3
InChIKeyAPQWOMNFCKUBDE-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole?
The IUPAC name of 4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole (CID 82373398) is 4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole.
What is the SMILES notation for 4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole?
The canonical SMILES for 4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole is Cc1ccc2sc(C3CCNCC3)nc2c1C.
What is the InChIKey of 4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole?
The InChIKey is APQWOMNFCKUBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-9-3-4-12-13(10(9)2)16-14(17-12)11-5-7-15-8-6-11/h3-4,11,15H,5-8H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole?
4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole has a molecular weight of 246.38 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole is sourced from PubChem (CID 82373398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).