N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide

C15H17N3OS — CID 20754424

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2ncsc2c1
InChIInChI=1S/C15H17N3OS/c19-15(11-1-2-13-14(6-11)20-9-16-13)17-12-5-10-3-4-18(7-10)8-12/h1-2,6,9-10,12H,3-5,7-8H2,(H,17,19)/t10-,12-/m1/s1
InChIKeyBBHOTKRCKZTVKM-ZYHUDNBSSA-N
MW287.39 g/mol
LogP2.12
Rot. Bonds2

About N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 20754424) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID20754424
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2ncsc2c1
InChIInChI=1S/C15H17N3OS/c19-15(11-1-2-13-14(6-11)20-9-16-13)17-12-5-10-3-4-18(7-10)8-12/h1-2,6,9-10,12H,3-5,7-8H2,(H,17,19)/t10-,12-/m1/s1
InChIKeyBBHOTKRCKZTVKM-ZYHUDNBSSA-N
XLogP2.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-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

Related Compounds

CID 18109210
CID 18109210
CID 769187
CID 769187
CID 155566456
CID 155566456
CID 712469
CID 712469
CID 2092996
CID 2092996
CID 2096442
CID 2096442
CID 2738140
CID 2738140
CID 24981621
CID 24981621
CID 56943317
CID 56943317
CID 6710452
CID 6710452
CID 16363795
CID 16363795
CID 22103788
CID 22103788

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide (CID 20754424) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide is O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2ncsc2c1.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is BBHOTKRCKZTVKM-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-15(11-1-2-13-14(6-11)20-9-16-13)17-12-5-10-3-4-18(7-10)8-12/h1-2,6,9-10,12H,3-5,7-8H2,(H,17,19)/t10-,12-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 20754424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).