6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole

C18H17N5O2S2 — CID 168798198

IUPAC6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole
SMILESO=S(=O)(c1ccc2ncsc2c1)N1CCC(c2ccc3ncnn3c2)CC1
InChIInChI=1S/C18H17N5O2S2/c24-27(25,15-2-3-16-17(9-15)26-12-20-16)22-7-5-13(6-8-22)14-1-4-18-19-11-21-23(18)10-14/h1-4,9-13H,5-8H2
InChIKeyAPANYVYBGPRONZ-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.91
Rot. Bonds3

About 6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole

6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole (PubChem CID 168798198) has the molecular formula C18H17N5O2S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole
PubChem CID168798198
Molecular FormulaC18H17N5O2S2
Molecular Weight399.50 g/mol
Exact Mass399.08
IUPAC Name6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole
SMILESO=S(=O)(c1ccc2ncsc2c1)N1CCC(c2ccc3ncnn3c2)CC1
InChIInChI=1S/C18H17N5O2S2/c24-27(25,15-2-3-16-17(9-15)26-12-20-16)22-7-5-13(6-8-22)14-1-4-18-19-11-21-23(18)10-14/h1-4,9-13H,5-8H2
InChIKeyAPANYVYBGPRONZ-UHFFFAOYSA-N
XLogP2.91
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole?
The IUPAC name of 6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole (CID 168798198) is 6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole.
What is the SMILES notation for 6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole?
The canonical SMILES for 6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole is O=S(=O)(c1ccc2ncsc2c1)N1CCC(c2ccc3ncnn3c2)CC1.
What is the InChIKey of 6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole?
The InChIKey is APANYVYBGPRONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S2/c24-27(25,15-2-3-16-17(9-15)26-12-20-16)22-7-5-13(6-8-22)14-1-4-18-19-11-21-23(18)10-14/h1-4,9-13H,5-8H2.
What are the key properties of 6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole?
6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole has a molecular weight of 399.50 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1,3-benzothiazole is sourced from PubChem (CID 168798198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).