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

C18H19N3OS — CID 86769427

IUPAC1-[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(-c2cnc3n2C[C@H](CNCc2cccs2)OC3)cc1
InChIInChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)17-11-20-18-13-22-15(12-21(17)18)9-19-10-16-7-4-8-23-16/h1-8,11,15,19H,9-10,12-13H2/t15-/m0/s1
InChIKeyUWGKVTKOJWVIOB-HNNXBMFYSA-N
MW325.44 g/mol
LogP3.30
Rot. Bonds5

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

1-[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 86769427) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID86769427
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(-c2cnc3n2C[C@H](CNCc2cccs2)OC3)cc1
InChIInChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)17-11-20-18-13-22-15(12-21(17)18)9-19-10-16-7-4-8-23-16/h1-8,11,15,19H,9-10,12-13H2/t15-/m0/s1
InChIKeyUWGKVTKOJWVIOB-HNNXBMFYSA-N
XLogP3.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethan-1-ol
CID 20823993
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
6-methyl-N-(2-methylphenyl)-2-(thiophen-3-yl)imidazo[1,2-a]pyridin-3-amine
CID 5165646
2-[2-[4-(Methylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylethanol
CID 44427527
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 46994291
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
3-Benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridine
CID 137644228
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

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-3-phenyl-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-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine (CID 86769427) is 1-[(6S)-3-phenyl-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-phenyl-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-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine is c1ccc(-c2cnc3n2C[C@H](CNCc2cccs2)OC3)cc1.
What is the InChIKey of 1-[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is UWGKVTKOJWVIOB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)17-11-20-18-13-22-15(12-21(17)18)9-19-10-16-7-4-8-23-16/h1-8,11,15,19H,9-10,12-13H2/t15-/m0/s1.
What are the key properties of 1-[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine?
1-[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 325.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-3-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 86769427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).