(1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide

C16H16N4O2S — CID 166296406

IUPAC(1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(Nc1ncc(-c2cnccn2)s1)C1C[C@H]2CC[C@@H](C1)C2=O
InChIInChI=1S/C16H16N4O2S/c21-14-9-1-2-10(14)6-11(5-9)15(22)20-16-19-8-13(23-16)12-7-17-3-4-18-12/h3-4,7-11H,1-2,5-6H2,(H,19,20,22)/t9-,10+,11?
InChIKeyWMKSOUIXCDLOST-ZACCUICWSA-N
MW328.40 g/mol
LogP2.54
Rot. Bonds3

About (1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide

(1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide (PubChem CID 166296406) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is (1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide
PubChem CID166296406
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name(1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(Nc1ncc(-c2cnccn2)s1)C1C[C@H]2CC[C@@H](C1)C2=O
InChIInChI=1S/C16H16N4O2S/c21-14-9-1-2-10(14)6-11(5-9)15(22)20-16-19-8-13(23-16)12-7-17-3-4-18-12/h3-4,7-11H,1-2,5-6H2,(H,19,20,22)/t9-,10+,11?
InChIKeyWMKSOUIXCDLOST-ZACCUICWSA-N
XLogP2.54
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of (1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide (CID 166296406) is (1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for (1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for (1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide is O=C(Nc1ncc(-c2cnccn2)s1)C1C[C@H]2CC[C@@H](C1)C2=O.
What is the InChIKey of (1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is WMKSOUIXCDLOST-ZACCUICWSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-14-9-1-2-10(14)6-11(5-9)15(22)20-16-19-8-13(23-16)12-7-17-3-4-18-12/h3-4,7-11H,1-2,5-6H2,(H,19,20,22)/t9-,10+,11?.
What are the key properties of (1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide?
(1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-oxo-N-(5-pyrazin-2-yl-1,3-thiazol-2-yl)bicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 166296406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).