1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine

C23H22FN3OS2 — CID 75367215

IUPAC1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine
SMILESFc1ccc(-c2cnc3n2C[C@H](CN(Cc2cccs2)Cc2cccs2)OC3)cc1
InChIInChI=1S/C23H22FN3OS2/c24-18-7-5-17(6-8-18)22-11-25-23-16-28-19(13-27(22)23)12-26(14-20-3-1-9-29-20)15-21-4-2-10-30-21/h1-11,19H,12-16H2/t19-/m0/s1
InChIKeyMOJLSPUZMIHWRD-IBGZPJMESA-N
MW439.58 g/mol
LogP5.41
Rot. Bonds7

About 1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine

1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine (PubChem CID 75367215) has the molecular formula C23H22FN3OS2 and a molecular weight of 439.58 g/mol. Its IUPAC name is 1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine
PubChem CID75367215
Molecular FormulaC23H22FN3OS2
Molecular Weight439.58 g/mol
Exact Mass439.12
IUPAC Name1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine
SMILESFc1ccc(-c2cnc3n2C[C@H](CN(Cc2cccs2)Cc2cccs2)OC3)cc1
InChIInChI=1S/C23H22FN3OS2/c24-18-7-5-17(6-8-18)22-11-25-23-16-28-19(13-27(22)23)12-26(14-20-3-1-9-29-20)15-21-4-2-10-30-21/h1-11,19H,12-16H2/t19-/m0/s1
InChIKeyMOJLSPUZMIHWRD-IBGZPJMESA-N
XLogP5.41
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine with MolForge

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Related Compounds

N-(2-ethyl-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 117628557
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 46994291
6-Methyl-2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
CID 51359381
3-(4-Fluorophenyl)-7-thiophen-2-ylimidazo[1,2-a]pyridine
CID 118733891
3-Benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridine
CID 137644228
US9096589, 2-{2-[1-(2-Methoxy-ethyl)-4-thiophen-2-yl-1H-imidazol-2-yl]-ethyl}-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 53251625
US9096589, 5,7-Dimethyl-2-{2-[1-(2-morpholin-4-yl-ethyl)-4-thiophen-2-yl-1H-imidazol-2-yl]-ethyl}-imidazo[1,2-a]pyrimidine
CID 67258026
US9096589, 1-{2-[2-(5,7-Dimethyl-imidazo[1,2-a]pyrimidin-2-yl)-ethyl]-4-thiophen-2-yl-imidazol-1-yl}-3-fluoro-propan-2-ol
CID 67259225
US9777017, Example 12
CID 73776191
6-Methyl-2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
CID 53299405
3-Thiophen-2-yl-6-[3-(trifluoromethyl)phenyl]sulfanylimidazo[1,2-a]pyridine
CID 71578667
N,N-dibenzyl-1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
CID 75367214

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine (CID 75367215) is 1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine is Fc1ccc(-c2cnc3n2C[C@H](CN(Cc2cccs2)Cc2cccs2)OC3)cc1.
What is the InChIKey of 1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine?
The InChIKey is MOJLSPUZMIHWRD-IBGZPJMESA-N. The full InChI is InChI=1S/C23H22FN3OS2/c24-18-7-5-17(6-8-18)22-11-25-23-16-28-19(13-27(22)23)12-26(14-20-3-1-9-29-20)15-21-4-2-10-30-21/h1-11,19H,12-16H2/t19-/m0/s1.
What are the key properties of 1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine?
1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine has a molecular weight of 439.58 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 75367215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).