9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane

C14H23N3OS — CID 131653802

IUPAC9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCC(C)CN1C2COCC1CN(Cc1nccs1)C2
InChIInChI=1S/C14H23N3OS/c1-11(2)5-17-12-6-16(7-13(17)10-18-9-12)8-14-15-3-4-19-14/h3-4,11-13H,5-10H2,1-2H3
InChIKeyWAXBMCZAHMMJSD-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.68
Rot. Bonds4

About 9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane

9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane (PubChem CID 131653802) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
PubChem CID131653802
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCC(C)CN1C2COCC1CN(Cc1nccs1)C2
InChIInChI=1S/C14H23N3OS/c1-11(2)5-17-12-6-16(7-13(17)10-18-9-12)8-14-15-3-4-19-14/h3-4,11-13H,5-10H2,1-2H3
InChIKeyWAXBMCZAHMMJSD-UHFFFAOYSA-N
XLogP1.68
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane with MolForge

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Related Compounds

1-Methyl-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396369
8-Propan-2-yl-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118746450
2-Methyl-4-[2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]morpholine
CID 121537085
9-(2-Methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155826529
9-(2-Methoxyethyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155828138
9-Propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane;bis(2,2,2-trifluoroacetic acid)
CID 171672468
N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
CID 77091916
9-Propan-2-yl-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 131640477
9-(2-Methoxyethyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
CID 131655533
4-[3-(1,3-Thiazol-2-yl)pentan-3-yl]morpholine
CID 3378838
4-(1,3-Thiazol-2-ylmethyl)morpholine
CID 57194818
4-[[5-(4-Propan-2-ylpiperazin-1-yl)-1,3-thiazol-2-yl]methyl]morpholine
CID 91585272

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of 9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane (CID 131653802) is 9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane is CC(C)CN1C2COCC1CN(Cc1nccs1)C2.
What is the InChIKey of 9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The InChIKey is WAXBMCZAHMMJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11(2)5-17-12-6-16(7-13(17)10-18-9-12)8-14-15-3-4-19-14/h3-4,11-13H,5-10H2,1-2H3.
What are the key properties of 9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane has a molecular weight of 281.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpropyl)-7-(1,3-thiazol-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 131653802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).