2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide

C20H26N4OS — CID 119839197

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc2nc(N3CCCC3)sc2c1
InChIInChI=1S/C20H26N4OS/c25-19(11-13-9-14-3-4-15(10-13)21-14)22-16-5-6-17-18(12-16)26-20(23-17)24-7-1-2-8-24/h5-6,12-15,21H,1-4,7-11H2,(H,22,25)
InChIKeyJEMYVQQHSQSZBS-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.76
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 119839197) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
PubChem CID119839197
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
SMILESO=C(CC1CC2CCC(C1)N2)Nc1ccc2nc(N3CCCC3)sc2c1
InChIInChI=1S/C20H26N4OS/c25-19(11-13-9-14-3-4-15(10-13)21-14)22-16-5-6-17-18(12-16)26-20(23-17)24-7-1-2-8-24/h5-6,12-15,21H,1-4,7-11H2,(H,22,25)
InChIKeyJEMYVQQHSQSZBS-UHFFFAOYSA-N
XLogP3.76
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 119839201
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride
CID 119734492
1,1-dioxo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)thiolane-3-carboxamide
CID 42932681
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)piperidine-3-carboxamide;dihydrochloride
CID 119839152
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 119829292
3-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119839175
(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
CID 119839191
(2S,5R)-5-(aminomethyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 120797486
N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide
CID 17450623
2-amino-2-(oxan-4-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 120797488
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940783
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide
CID 119867943

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide (CID 119839197) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide is O=C(CC1CC2CCC(C1)N2)Nc1ccc2nc(N3CCCC3)sc2c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is JEMYVQQHSQSZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-19(11-13-9-14-3-4-15(10-13)21-14)22-16-5-6-17-18(12-16)26-20(23-17)24-7-1-2-8-24/h5-6,12-15,21H,1-4,7-11H2,(H,22,25).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 370.52 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 119839197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).