2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide

C25H27N7OS — CID 138507351

IUPAC2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3nc(N4C5CCCC4CC5)sc3c2)n1
InChIInChI=1S/C25H27N7OS/c1-15(2)31-14-26-30-23(31)20-7-4-8-22(27-20)29-24(33)16-9-12-19-21(13-16)34-25(28-19)32-17-5-3-6-18(32)11-10-17/h4,7-9,12-15,17-18H,3,5-6,10-11H2,1-2H3,(H,27,29,33)
InChIKeyIINDYJLAZLOSLL-UHFFFAOYSA-N
MW473.61 g/mol
LogP5.30
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide

2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 138507351) has the molecular formula C25H27N7OS and a molecular weight of 473.61 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide
PubChem CID138507351
Molecular FormulaC25H27N7OS
Molecular Weight473.61 g/mol
Exact Mass473.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3nc(N4C5CCCC4CC5)sc3c2)n1
InChIInChI=1S/C25H27N7OS/c1-15(2)31-14-26-30-23(31)20-7-4-8-22(27-20)29-24(33)16-9-12-19-21(13-16)34-25(28-19)32-17-5-3-6-18(32)11-10-17/h4,7-9,12-15,17-18H,3,5-6,10-11H2,1-2H3,(H,27,29,33)
InChIKeyIINDYJLAZLOSLL-UHFFFAOYSA-N
XLogP5.30
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.61
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide (CID 138507351) is 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2ccc3nc(N4C5CCCC4CC5)sc3c2)n1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is IINDYJLAZLOSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7OS/c1-15(2)31-14-26-30-23(31)20-7-4-8-22(27-20)29-24(33)16-9-12-19-21(13-16)34-25(28-19)32-17-5-3-6-18(32)11-10-17/h4,7-9,12-15,17-18H,3,5-6,10-11H2,1-2H3,(H,27,29,33).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide?
2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 473.61 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 138507351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).