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

C18H18FN3OS — CID 75367508

IUPAC1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESFc1ccc(-c2cnc3n2C[C@H](CNCc2cccs2)OC3)cc1
InChIInChI=1S/C18H18FN3OS/c19-14-5-3-13(4-6-14)17-10-21-18-12-23-15(11-22(17)18)8-20-9-16-2-1-7-24-16/h1-7,10,15,20H,8-9,11-12H2/t15-/m0/s1
InChIKeyGJAVIODCFNYSKZ-HNNXBMFYSA-N
MW343.43 g/mol
LogP3.44
Rot. Bonds5

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

1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 75367508) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 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-(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-(thiophen-2-ylmethyl)methanamine
PubChem CID75367508
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESFc1ccc(-c2cnc3n2C[C@H](CNCc2cccs2)OC3)cc1
InChIInChI=1S/C18H18FN3OS/c19-14-5-3-13(4-6-14)17-10-21-18-12-23-15(11-22(17)18)8-20-9-16-2-1-7-24-16/h1-7,10,15,20H,8-9,11-12H2/t15-/m0/s1
InChIKeyGJAVIODCFNYSKZ-HNNXBMFYSA-N
XLogP3.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-(2-Fluorophenyl)-12-(thiophen-2-ylmethyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 10927005
N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808829
N-benzyl-7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808733
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 46994291
3-(4-Fluorophenyl)-7-thiophen-2-ylimidazo[1,2-a]pyridine
CID 118733891
7-methyl-N-(4-phenylbutyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 137637324
N-benzyl-2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
CID 137638497
6-methyl-N-(3-phenylpropyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 137645546
6-methyl-N-[(4-methylphenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 137646226
N-benzyl-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
CID 137650661
N-benzyl-6-phenyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 137651579
6-methyl-N-(2-phenylethyl)-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 137659585

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-(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-(thiophen-2-ylmethyl)methanamine (CID 75367508) is 1-[(6S)-3-(4-fluorophenyl)-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)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(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-(thiophen-2-ylmethyl)methanamine is Fc1ccc(-c2cnc3n2C[C@H](CNCc2cccs2)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-(thiophen-2-ylmethyl)methanamine?
The InChIKey is GJAVIODCFNYSKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c19-14-5-3-13(4-6-14)17-10-21-18-12-23-15(11-22(17)18)8-20-9-16-2-1-7-24-16/h1-7,10,15,20H,8-9,11-12H2/t15-/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-(thiophen-2-ylmethyl)methanamine?
1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 343.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 75367508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).