(3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine

C15H19N5OS — CID 97394613

IUPAC(3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESCc1ccc(N[C@H]2CO[C@]3(CCN(c4nccs4)C3)C2)nn1
InChIInChI=1S/C15H19N5OS/c1-11-2-3-13(19-18-11)17-12-8-15(21-9-12)4-6-20(10-15)14-16-5-7-22-14/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,17,19)/t12-,15-/m1/s1
InChIKeyBCPTUODFPYGVNH-IUODEOHRSA-N
MW317.42 g/mol
LogP2.09
Rot. Bonds3

About (3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine

(3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 97394613) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound Name(3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
PubChem CID97394613
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESCc1ccc(N[C@H]2CO[C@]3(CCN(c4nccs4)C3)C2)nn1
InChIInChI=1S/C15H19N5OS/c1-11-2-3-13(19-18-11)17-12-8-15(21-9-12)4-6-20(10-15)14-16-5-7-22-14/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,17,19)/t12-,15-/m1/s1
InChIKeyBCPTUODFPYGVNH-IUODEOHRSA-N
XLogP2.09
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The IUPAC name of (3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 97394613) is (3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine.
What is the SMILES notation for (3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The canonical SMILES for (3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine is Cc1ccc(N[C@H]2CO[C@]3(CCN(c4nccs4)C3)C2)nn1.
What is the InChIKey of (3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The InChIKey is BCPTUODFPYGVNH-IUODEOHRSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11-2-3-13(19-18-11)17-12-8-15(21-9-12)4-6-20(10-15)14-16-5-7-22-14/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,17,19)/t12-,15-/m1/s1.
What are the key properties of (3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
(3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine has a molecular weight of 317.42 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-(6-methylpyridazin-3-yl)-7-(1,3-thiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 97394613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).