2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine

C33H41N11S — CID 162012536

IUPAC2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine
SMILESc1ccc2sc(C3CCNCC3)nc2c1.c1cnc2nc(C3CCNCC3)[nH]c2c1.c1ncc2[nH]c(C3CCNCC3)nc2n1
InChIInChI=1S/C12H14N2S.C11H14N4.C10H13N5/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9;1-2-9-11(13-5-1)15-10(14-9)8-3-6-12-7-4-8;1-3-11-4-2-7(1)9-14-8-5-12-6-13-10(8)15-9/h1-4,9,13H,5-8H2;1-2,5,8,12H,3-4,6-7H2,(H,13,14,15);5-7,11H,1-4H2,(H,12,13,14,15)
InChIKeyYTQXXPONAUYLIZ-UHFFFAOYSA-N
MW623.84 g/mol
LogP5.01
Rot. Bonds3

About 2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine

2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine (PubChem CID 162012536) has the molecular formula C33H41N11S and a molecular weight of 623.84 g/mol. Its IUPAC name is 2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine.

Molecular Properties

Compound Name2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine
PubChem CID162012536
Molecular FormulaC33H41N11S
Molecular Weight623.84 g/mol
Exact Mass623.33
IUPAC Name2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine
SMILESc1ccc2sc(C3CCNCC3)nc2c1.c1cnc2nc(C3CCNCC3)[nH]c2c1.c1ncc2[nH]c(C3CCNCC3)nc2n1
InChIInChI=1S/C12H14N2S.C11H14N4.C10H13N5/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9;1-2-9-11(13-5-1)15-10(14-9)8-3-6-12-7-4-8;1-3-11-4-2-7(1)9-14-8-5-12-6-13-10(8)15-9/h1-4,9,13H,5-8H2;1-2,5,8,12H,3-4,6-7H2,(H,13,14,15);5-7,11H,1-4H2,(H,12,13,14,15)
InChIKeyYTQXXPONAUYLIZ-UHFFFAOYSA-N
XLogP5.01
TPSA145.01 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.84
LogP ≤ 55.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine?
The IUPAC name of 2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine (CID 162012536) is 2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine.
What is the SMILES notation for 2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine?
The canonical SMILES for 2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine is c1ccc2sc(C3CCNCC3)nc2c1.c1cnc2nc(C3CCNCC3)[nH]c2c1.c1ncc2[nH]c(C3CCNCC3)nc2n1.
What is the InChIKey of 2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine?
The InChIKey is YTQXXPONAUYLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S.C11H14N4.C10H13N5/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9;1-2-9-11(13-5-1)15-10(14-9)8-3-6-12-7-4-8;1-3-11-4-2-7(1)9-14-8-5-12-6-13-10(8)15-9/h1-4,9,13H,5-8H2;1-2,5,8,12H,3-4,6-7H2,(H,13,14,15);5-7,11H,1-4H2,(H,12,13,14,15).
What are the key properties of 2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine?
2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine has a molecular weight of 623.84 g/mol, XLogP of 5.01, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1,3-benzothiazole;2-piperidin-4-yl-1H-imidazo[4,5-b]pyridine;8-piperidin-4-yl-7H-purine is sourced from PubChem (CID 162012536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).