(1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

C14H19N3O2S — CID 167968785

IUPAC(1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ncc(C2CC2)s1)N1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C14H19N3O2S/c18-11-5-9-3-4-10(6-11)17(9)14(19)16-13-15-7-12(20-13)8-1-2-8/h7-11,18H,1-6H2,(H,15,16,19)/t9-,10+,11?
InChIKeyIZJQENYNHBQMCA-ZACCUICWSA-N
MW293.39 g/mol
LogP2.54
Rot. Bonds2

About (1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

(1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 167968785) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is (1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID167968785
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name(1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESO=C(Nc1ncc(C2CC2)s1)N1[C@@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C14H19N3O2S/c18-11-5-9-3-4-10(6-11)17(9)14(19)16-13-15-7-12(20-13)8-1-2-8/h7-11,18H,1-6H2,(H,15,16,19)/t9-,10+,11?
InChIKeyIZJQENYNHBQMCA-ZACCUICWSA-N
XLogP2.54
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of (1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 167968785) is (1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for (1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for (1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is O=C(Nc1ncc(C2CC2)s1)N1[C@@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of (1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is IZJQENYNHBQMCA-ZACCUICWSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-11-5-9-3-4-10(6-11)17(9)14(19)16-13-15-7-12(20-13)8-1-2-8/h7-11,18H,1-6H2,(H,15,16,19)/t9-,10+,11?.
What are the key properties of (1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide?
(1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-(5-cyclopropyl-1,3-thiazol-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 167968785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).