1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine

C12H15N3OS — CID 75367330

IUPAC1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESc1csc(CNC[C@H]2Cn3ccnc3CO2)c1
InChIInChI=1S/C12H15N3OS/c1-2-11(17-5-1)7-13-6-10-8-15-4-3-14-12(15)9-16-10/h1-5,10,13H,6-9H2/t10-/m0/s1
InChIKeyBHALXSCEZMCEMK-JTQLQIEISA-N
MW249.34 g/mol
LogP1.63
Rot. Bonds4

About 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine

1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 75367330) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID75367330
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESc1csc(CNC[C@H]2Cn3ccnc3CO2)c1
InChIInChI=1S/C12H15N3OS/c1-2-11(17-5-1)7-13-6-10-8-15-4-3-14-12(15)9-16-10/h1-5,10,13H,6-9H2/t10-/m0/s1
InChIKeyBHALXSCEZMCEMK-JTQLQIEISA-N
XLogP1.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine (CID 75367330) is 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine is c1csc(CNC[C@H]2Cn3ccnc3CO2)c1.
What is the InChIKey of 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is BHALXSCEZMCEMK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-11(17-5-1)7-13-6-10-8-15-4-3-14-12(15)9-16-10/h1-5,10,13H,6-9H2/t10-/m0/s1.
What are the key properties of 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine?
1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 249.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 75367330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).