(4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride

C12H19ClN2O2S — CID 155853192

IUPAC(4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride
SMILESCc1nc(CO[C@@H]2CC[C@@H]3NCCO[C@H]32)cs1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-8-14-9(7-17-8)6-16-11-3-2-10-12(11)15-5-4-13-10;/h7,10-13H,2-6H2,1H3;1H/t10-,11+,12+;/m0./s1
InChIKeySBTCALUORTYURC-YBWCDFGXSA-N
MW290.82 g/mol
LogP1.91
Rot. Bonds3

About (4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride

(4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride (PubChem CID 155853192) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is (4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride.

Molecular Properties

Compound Name(4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride
PubChem CID155853192
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name(4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride
SMILESCc1nc(CO[C@@H]2CC[C@@H]3NCCO[C@H]32)cs1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-8-14-9(7-17-8)6-16-11-3-2-10-12(11)15-5-4-13-10;/h7,10-13H,2-6H2,1H3;1H/t10-,11+,12+;/m0./s1
InChIKeySBTCALUORTYURC-YBWCDFGXSA-N
XLogP1.91
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride with MolForge

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Related Compounds

(3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole
CID 154776388
2-methyl-4-(piperidin-4-yloxymethyl)-1,3-thiazole
CID 43167825
(4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-4-prop-2-enyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;bis(2,2,2-trifluoroacetic acid)
CID 155848519
(3S,3aS,7aR)-1-(6-methylpyridazin-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97364838
(4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-4-(pyridin-4-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;tris(2,2,2-trifluoroacetic acid)
CID 155828083
(4aS,7S,7aR)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(pyridin-3-ylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97365961
(4aS,7R,7aR)-4-[(1-methylpyrazol-4-yl)methyl]-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;bis(2,2,2-trifluoroacetic acid)
CID 155842194
(4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-4-(pyridin-2-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine;2,2,2-trifluoroacetic acid
CID 171693428
4-[[(3R,4R)-3-benzylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 124812608
(3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 97394988
(3R,3aR,6aS)-1-cyclopropylsulfonyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97459621
(4aS,7S,7aR)-7-[(3-fluoro-2-pyridinyl)oxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;dihydrochloride
CID 155844078

Frequently Asked Questions

What is the IUPAC name of (4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride?
The IUPAC name of (4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride (CID 155853192) is (4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride.
What is the SMILES notation for (4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride?
The canonical SMILES for (4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride is Cc1nc(CO[C@@H]2CC[C@@H]3NCCO[C@H]32)cs1.Cl.
What is the InChIKey of (4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride?
The InChIKey is SBTCALUORTYURC-YBWCDFGXSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c1-8-14-9(7-17-8)6-16-11-3-2-10-12(11)15-5-4-13-10;/h7,10-13H,2-6H2,1H3;1H/t10-,11+,12+;/m0./s1.
What are the key properties of (4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride?
(4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride is sourced from PubChem (CID 155853192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).