N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C15H25N3OS — CID 79088458

IUPACN-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(C2CN3CCCC3CO2)s1
InChIInChI=1S/C15H25N3OS/c1-11(2)6-16-7-13-8-17-15(20-13)14-9-18-5-3-4-12(18)10-19-14/h8,11-12,14,16H,3-7,9-10H2,1-2H3
InChIKeyMLRXBCORFBBKAG-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.42
Rot. Bonds5

About N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79088458) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID79088458
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(C2CN3CCCC3CO2)s1
InChIInChI=1S/C15H25N3OS/c1-11(2)6-16-7-13-8-17-15(20-13)14-9-18-5-3-4-12(18)10-19-14/h8,11-12,14,16H,3-7,9-10H2,1-2H3
InChIKeyMLRXBCORFBBKAG-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783454
N-[(2-methoxy-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 16494802
N-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 16494838
1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine
CID 46785190
1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 46785237
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 53523798
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-2-yl)methanamine
CID 55135718
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-4-yloxyethanamine
CID 55251960
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 60776611
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60777490
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
CID 60981931
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60982044

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 79088458) is N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(C2CN3CCCC3CO2)s1.
What is the InChIKey of N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is MLRXBCORFBBKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-11(2)6-16-7-13-8-17-15(20-13)14-9-18-5-3-4-12(18)10-19-14/h8,11-12,14,16H,3-7,9-10H2,1-2H3.
What are the key properties of N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79088458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).