5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine

C13H21N3O2S — CID 103361760

IUPAC5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine
SMILESCCOc1c(N)nsc1N1CCOC2CCCCC21
InChIInChI=1S/C13H21N3O2S/c1-2-17-11-12(14)15-19-13(11)16-7-8-18-10-6-4-3-5-9(10)16/h9-10H,2-8H2,1H3,(H2,14,15)
InChIKeyUBZQWRZNBRFISC-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.27
Rot. Bonds3

About 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine

5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine (PubChem CID 103361760) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine
PubChem CID103361760
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine
SMILESCCOc1c(N)nsc1N1CCOC2CCCCC21
InChIInChI=1S/C13H21N3O2S/c1-2-17-11-12(14)15-19-13(11)16-7-8-18-10-6-4-3-5-9(10)16/h9-10H,2-8H2,1H3,(H2,14,15)
InChIKeyUBZQWRZNBRFISC-UHFFFAOYSA-N
XLogP2.27
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-amino-1,2-thiazole-4-carboxylate
CID 103380742
4-ethoxy-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine
CID 103360444
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
CID 103360803
4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
CID 103363122
(4aR,8aS)-4-(6-ethoxypyrazin-2-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 129446161
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80790608
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethoxyaniline
CID 63678344
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-methyl-3-propylpyrazol-4-amine
CID 66018492
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylsulfonyl-1,2-thiazol-3-amine
CID 103364823
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine
CID 66279252
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine
CID 80653626
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine
CID 102986147

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine?
The IUPAC name of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine (CID 103361760) is 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine?
The canonical SMILES for 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine is CCOc1c(N)nsc1N1CCOC2CCCCC21.
What is the InChIKey of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine?
The InChIKey is UBZQWRZNBRFISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-17-11-12(14)15-19-13(11)16-7-8-18-10-6-4-3-5-9(10)16/h9-10H,2-8H2,1H3,(H2,14,15).
What are the key properties of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine?
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine has a molecular weight of 283.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-ethoxy-1,2-thiazol-3-amine is sourced from PubChem (CID 103361760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).