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

C18H20N4OS — CID 75367426

IUPAC1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2nccs2)C3)cc1
InChIInChI=1S/C18H20N4OS/c1-13-2-4-14(5-3-13)16-11-22-10-15(23-12-17(22)21-16)8-19-9-18-20-6-7-24-18/h2-7,11,15,19H,8-10,12H2,1H3/t15-/m0/s1
InChIKeyHYNDLHFBBWHTTK-HNNXBMFYSA-N
MW340.45 g/mol
LogP3.00
Rot. Bonds5

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

1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 75367426) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID75367426
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2nccs2)C3)cc1
InChIInChI=1S/C18H20N4OS/c1-13-2-4-14(5-3-13)16-11-22-10-15(23-12-17(22)21-16)8-19-9-18-20-6-7-24-18/h2-7,11,15,19H,8-10,12H2,1H3/t15-/m0/s1
InChIKeyHYNDLHFBBWHTTK-HNNXBMFYSA-N
XLogP3.00
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 75367426) is 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine is Cc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2nccs2)C3)cc1.
What is the InChIKey of 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is HYNDLHFBBWHTTK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-2-4-14(5-3-13)16-11-22-10-15(23-12-17(22)21-16)8-19-9-18-20-6-7-24-18/h2-7,11,15,19H,8-10,12H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 340.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 75367426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).