2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C15H25N3OS — CID 66369862

IUPAC2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCc1nc(N2CC3CCC(C2)O3)sc1CNCC(C)C
InChIInChI=1S/C15H25N3OS/c1-10(2)6-16-7-14-11(3)17-15(20-14)18-8-12-4-5-13(9-18)19-12/h10,12-13,16H,4-9H2,1-3H3
InChIKeyXXUBDSDWHSBDSW-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.56
Rot. Bonds5

About 2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 66369862) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID66369862
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCc1nc(N2CC3CCC(C2)O3)sc1CNCC(C)C
InChIInChI=1S/C15H25N3OS/c1-10(2)6-16-7-14-11(3)17-15(20-14)18-8-12-4-5-13(9-18)19-12/h10,12-13,16H,4-9H2,1-3H3
InChIKeyXXUBDSDWHSBDSW-UHFFFAOYSA-N
XLogP2.56
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 66369862) is 2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is Cc1nc(N2CC3CCC(C2)O3)sc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is XXUBDSDWHSBDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-10(2)6-16-7-14-11(3)17-15(20-14)18-8-12-4-5-13(9-18)19-12/h10,12-13,16H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 66369862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).