4-piperidin-1-yl-1,2-benzothiazole

C12H14N2S — CID 70352998

IUPAC4-piperidin-1-yl-1,2-benzothiazole
SMILESc1cc(N2CCCCC2)c2cnsc2c1
InChIInChI=1S/C12H14N2S/c1-2-7-14(8-3-1)11-5-4-6-12-10(11)9-13-15-12/h4-6,9H,1-3,7-8H2
InChIKeyMBSULGZGHAODPE-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.29
Rot. Bonds1

About 4-piperidin-1-yl-1,2-benzothiazole

4-piperidin-1-yl-1,2-benzothiazole (PubChem CID 70352998) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 4-piperidin-1-yl-1,2-benzothiazole.

Molecular Properties

Compound Name4-piperidin-1-yl-1,2-benzothiazole
PubChem CID70352998
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name4-piperidin-1-yl-1,2-benzothiazole
SMILESc1cc(N2CCCCC2)c2cnsc2c1
InChIInChI=1S/C12H14N2S/c1-2-7-14(8-3-1)11-5-4-6-12-10(11)9-13-15-12/h4-6,9H,1-3,7-8H2
InChIKeyMBSULGZGHAODPE-UHFFFAOYSA-N
XLogP3.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1,2-benzothiazole?
The IUPAC name of 4-piperidin-1-yl-1,2-benzothiazole (CID 70352998) is 4-piperidin-1-yl-1,2-benzothiazole.
What is the SMILES notation for 4-piperidin-1-yl-1,2-benzothiazole?
The canonical SMILES for 4-piperidin-1-yl-1,2-benzothiazole is c1cc(N2CCCCC2)c2cnsc2c1.
What is the InChIKey of 4-piperidin-1-yl-1,2-benzothiazole?
The InChIKey is MBSULGZGHAODPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-7-14(8-3-1)11-5-4-6-12-10(11)9-13-15-12/h4-6,9H,1-3,7-8H2.
What are the key properties of 4-piperidin-1-yl-1,2-benzothiazole?
4-piperidin-1-yl-1,2-benzothiazole has a molecular weight of 218.33 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1,2-benzothiazole is sourced from PubChem (CID 70352998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).