[(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol

C20H24N2O2S — CID 163311739

IUPAC[(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
SMILESCc1ccccc1-c1ncc(CN2C[C@H]3[C@@H](CO)[C@@H]4CC[C@@]3(C2)O4)s1
InChIInChI=1S/C20H24N2O2S/c1-13-4-2-3-5-15(13)19-21-8-14(25-19)9-22-10-17-16(11-23)18-6-7-20(17,12-22)24-18/h2-5,8,16-18,23H,6-7,9-12H2,1H3/t16-,17+,18+,20+/m1/s1
InChIKeyIQQWELMLORCIEF-LXZJYRNTSA-N
MW356.49 g/mol
LogP3.09
Rot. Bonds4

About [(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol

[(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol (PubChem CID 163311739) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is [(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol.

Molecular Properties

Compound Name[(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
PubChem CID163311739
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name[(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
SMILESCc1ccccc1-c1ncc(CN2C[C@H]3[C@@H](CO)[C@@H]4CC[C@@]3(C2)O4)s1
InChIInChI=1S/C20H24N2O2S/c1-13-4-2-3-5-15(13)19-21-8-14(25-19)9-22-10-17-16(11-23)18-6-7-20(17,12-22)24-18/h2-5,8,16-18,23H,6-7,9-12H2,1H3/t16-,17+,18+,20+/m1/s1
InChIKeyIQQWELMLORCIEF-LXZJYRNTSA-N
XLogP3.09
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The IUPAC name of [(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol (CID 163311739) is [(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol.
What is the SMILES notation for [(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The canonical SMILES for [(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol is Cc1ccccc1-c1ncc(CN2C[C@H]3[C@@H](CO)[C@@H]4CC[C@@]3(C2)O4)s1.
What is the InChIKey of [(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The InChIKey is IQQWELMLORCIEF-LXZJYRNTSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-13-4-2-3-5-15(13)19-21-8-14(25-19)9-22-10-17-16(11-23)18-6-7-20(17,12-22)24-18/h2-5,8,16-18,23H,6-7,9-12H2,1H3/t16-,17+,18+,20+/m1/s1.
What are the key properties of [(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
[(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol has a molecular weight of 356.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R,6S,7S)-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol is sourced from PubChem (CID 163311739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).