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

C15H25N3OS — CID 62754591

IUPACN-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(N2CCOC3CCCC32)s1
InChIInChI=1S/C15H25N3OS/c1-15(2,3)17-10-11-9-16-14(20-11)18-7-8-19-13-6-4-5-12(13)18/h9,12-13,17H,4-8,10H2,1-3H3
InChIKeyJRVMLGBTBYKPTP-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.79
Rot. Bonds3

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

N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62754591) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID62754591
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(N2CCOC3CCCC32)s1
InChIInChI=1S/C15H25N3OS/c1-15(2,3)17-10-11-9-16-14(20-11)18-7-8-19-13-6-4-5-12(13)18/h9,12-13,17H,4-8,10H2,1-3H3
InChIKeyJRVMLGBTBYKPTP-UHFFFAOYSA-N
XLogP2.79
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylate
CID 80571165
4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazin-2-one
CID 63607199
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55162913
4-[5-[(tert-butylamino)methyl]-1,3-thiazol-2-yl]-3-methylpiperazine-2,6-dione
CID 66075448
N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65322638
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82751675
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62755147
2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62753468
N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62751979
N-[1-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64543767
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine
CID 66279252
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812889

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 62754591) is N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(N2CCOC3CCCC32)s1.
What is the InChIKey of N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JRVMLGBTBYKPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-15(2,3)17-10-11-9-16-14(20-11)18-7-8-19-13-6-4-5-12(13)18/h9,12-13,17H,4-8,10H2,1-3H3.
What are the key properties of N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62754591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).