(4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

C15H25N3OS — CID 134713615

IUPAC(4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESCCC[C@H]1COC[C@H]2CN(Cc3scnc3C)CCN12
InChIInChI=1S/C15H25N3OS/c1-3-4-13-9-19-10-14-7-17(5-6-18(13)14)8-15-12(2)16-11-20-15/h11,13-14H,3-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyCNWRVPPJTDNLIV-UONOGXRCSA-N
MW295.45 g/mol
LogP2.14
Rot. Bonds4

About (4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine

(4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (PubChem CID 134713615) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is (4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
PubChem CID134713615
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name(4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
SMILESCCC[C@H]1COC[C@H]2CN(Cc3scnc3C)CCN12
InChIInChI=1S/C15H25N3OS/c1-3-4-13-9-19-10-14-7-17(5-6-18(13)14)8-15-12(2)16-11-20-15/h11,13-14H,3-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyCNWRVPPJTDNLIV-UONOGXRCSA-N
XLogP2.14
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The IUPAC name of (4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine (CID 134713615) is (4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for (4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for (4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is CCC[C@H]1COC[C@H]2CN(Cc3scnc3C)CCN12.
What is the InChIKey of (4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
The InChIKey is CNWRVPPJTDNLIV-UONOGXRCSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-3-4-13-9-19-10-14-7-17(5-6-18(13)14)8-15-12(2)16-11-20-15/h11,13-14H,3-10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine?
(4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine has a molecular weight of 295.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,9aR)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 134713615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).