6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide

C17H21N3O2S — CID 67273500

IUPAC6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C)nsc2c1
InChIInChI=1S/C17H21N3O2S/c1-20-11-3-4-12(20)8-10(7-11)18-17(21)16-14-6-5-13(22-2)9-15(14)23-19-16/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,21)/t10?,11-,12+
InChIKeyBOFXNLXCOZYJCZ-YOGCLGLASA-N
MW331.44 g/mol
LogP2.66
Rot. Bonds3

About 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide

6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide (PubChem CID 67273500) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide
PubChem CID67273500
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide
SMILESCOc1ccc2c(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C)nsc2c1
InChIInChI=1S/C17H21N3O2S/c1-20-11-3-4-12(20)8-10(7-11)18-17(21)16-14-6-5-13(22-2)9-15(14)23-19-16/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,21)/t10?,11-,12+
InChIKeyBOFXNLXCOZYJCZ-YOGCLGLASA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-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 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide (CID 67273500) is 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide is COc1ccc2c(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C)nsc2c1.
What is the InChIKey of 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide?
The InChIKey is BOFXNLXCOZYJCZ-YOGCLGLASA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-20-11-3-4-12(20)8-10(7-11)18-17(21)16-14-6-5-13(22-2)9-15(14)23-19-16/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,21)/t10?,11-,12+.
What are the key properties of 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide?
6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 67273500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).