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

C17H18N4OS — CID 75411300

IUPAC1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2nccs2)C3)cc1
InChIInChI=1S/C17H18N4OS/c1-2-4-13(5-3-1)15-11-21-10-14(22-12-16(21)20-15)8-18-9-17-19-6-7-23-17/h1-7,11,14,18H,8-10,12H2/t14-/m0/s1
InChIKeyZFBDHIKALSQHHP-AWEZNQCLSA-N
MW326.42 g/mol
LogP2.70
Rot. Bonds5

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

1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 75411300) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[(6S)-2-phenyl-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-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID75411300
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2nccs2)C3)cc1
InChIInChI=1S/C17H18N4OS/c1-2-4-13(5-3-1)15-11-21-10-14(22-12-16(21)20-15)8-18-9-17-19-6-7-23-17/h1-7,11,14,18H,8-10,12H2/t14-/m0/s1
InChIKeyZFBDHIKALSQHHP-AWEZNQCLSA-N
XLogP2.70
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-2-phenyl-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-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 75411300) is 1-[(6S)-2-phenyl-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-phenyl-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-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine is c1ccc(-c2cn3c(n2)CO[C@@H](CNCc2nccs2)C3)cc1.
What is the InChIKey of 1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is ZFBDHIKALSQHHP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-2-4-13(5-3-1)15-11-21-10-14(22-12-16(21)20-15)8-18-9-17-19-6-7-23-17/h1-7,11,14,18H,8-10,12H2/t14-/m0/s1.
What are the key properties of 1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-[(6S)-2-phenyl-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 326.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-2-phenyl-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 75411300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).