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

C16H27N3OS — CID 64543767

IUPACN-[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
SMILESCCCNC(C)c1csc(N2CCOC3CCCCC32)n1
InChIInChI=1S/C16H27N3OS/c1-3-8-17-12(2)13-11-21-16(18-13)19-9-10-20-15-7-5-4-6-14(15)19/h11-12,14-15,17H,3-10H2,1-2H3
InChIKeyXZUWWCXNCFFVLW-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.35
Rot. Bonds5

About 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

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 (PubChem CID 64543767) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID64543767
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-[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
SMILESCCCNC(C)c1csc(N2CCOC3CCCCC32)n1
InChIInChI=1S/C16H27N3OS/c1-3-8-17-12(2)13-11-21-16(18-13)19-9-10-20-15-7-5-4-6-14(15)19/h11-12,14-15,17H,3-10H2,1-2H3
InChIKeyXZUWWCXNCFFVLW-UHFFFAOYSA-N
XLogP3.35
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 64438941
N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 134590618
N-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-ethylacetamide
CID 45833776
4-Methyl-2-[2-methyl-4-(oxan-2-ylmethyl)piperazin-1-yl]-1,3-thiazole
CID 53617399
1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 55072692
4-(2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-amine
CID 61664064
N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62448600
N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62448779
N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62448780
N-[[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62448781
N-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62768631
N-[[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62768632

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCNC(C)c1csc(N2CCOC3CCCCC32)n1.
What is the InChIKey of 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?
The InChIKey is XZUWWCXNCFFVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-3-8-17-12(2)13-11-21-16(18-13)19-9-10-20-15-7-5-4-6-14(15)19/h11-12,14-15,17H,3-10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 309.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 64543767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).