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

C14H23N3OS — CID 79083490

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCCc1ncc(CNCC2CN3CCCC3CO2)s1
InChIInChI=1S/C14H23N3OS/c1-2-14-16-8-13(19-14)7-15-6-12-9-17-5-3-4-11(17)10-18-12/h8,11-12,15H,2-7,9-10H2,1H3
InChIKeyKXPAHTJQYTVRBZ-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.66
Rot. Bonds5

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

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 79083490) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID79083490
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCCc1ncc(CNCC2CN3CCCC3CO2)s1
InChIInChI=1S/C14H23N3OS/c1-2-14-16-8-13(19-14)7-15-6-12-9-17-5-3-4-11(17)10-18-12/h8,11-12,15H,2-7,9-10H2,1H3
InChIKeyKXPAHTJQYTVRBZ-UHFFFAOYSA-N
XLogP1.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783453
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
(Oxolan-2-ylmethyl)(1,3-thiazol-5-ylmethyl)amine
CID 16494772
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
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46784196
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
1-(4-Methylmorpholin-2-yl)-N-((2-methylthiazol-5-yl)methyl)methanamine
CID 53562874
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 54883227
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 54883426
N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55112209

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine (CID 79083490) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine is CCc1ncc(CNCC2CN3CCCC3CO2)s1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is KXPAHTJQYTVRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-14-16-8-13(19-14)7-15-6-12-9-17-5-3-4-11(17)10-18-12/h8,11-12,15H,2-7,9-10H2,1H3.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 281.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 79083490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).